SCHEMBL10505751

SCHEMBL10505751

ClCCCc1ccccc1CCl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TAAR1 Q96RJ0 4/20 0.33
KMT2A Q03164 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
MPO P05164 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2A P28223 1/20 0.31
PNMT P11086 1/20 0.31
IDO1 P14902 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8522887 0.91 LIPG (0.38) ALDH1A1TSHRLIPG
SCHEMBL10534341 0.84 TSHR (0.41) ALDH1A1TSHRMAPTTAAR1KMT2A
SCHEMBL9625311 0.81 TAAR1 (0.56) TAAR1MPOHTR2APNMT
SCHEMBL8110497 0.81 TSHR (0.36) ALDH1A1TSHRTAAR1KMT2ALIPG
SCHEMBL8126752 0.81 PNMT (0.48) ALDH1A1MAPTCASP3RAB9ANPSR1
SCHEMBL1446062 0.81 LIPG (0.47) ALDH1A1TSHRLIPG
SCHEMBL150237 0.81 TSHR (0.50) ALDH1A1TSHRTAAR1KMT2APNMT
SCHEMBL29350459 0.81 TSHR (0.50) ALDH1A1TSHRTAAR1KMT2APNMT
Ammonia Solution, Strong SCHEMBL2913066 0.79 LIPG (0.46) ALDH1A1TSHRLIPG
SCHEMBL8995494 0.79 TSHR (0.35) ALDH1A1TSHRTAAR1LIPG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142324-B1 PHENYLALKANOIC ACID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-04 EP disclosed
EP-0144695-B1 IMMUNOGENS, ANTIBODIES, LABELED CONJUGATES, AND RELATED DERIVATIVES FOR LIDOCAINE AND ANALOGS THEREOF MILES INC. (US) 1988-06-01 EP disclosed
US-4668698-A [(4-phenyl-1,3-dioxan-cis-5-yl)alkyl]phenylalkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-26 US disclosed
US-4650771-A IMMONOASSAY MILES LABORATORIES, INC. (US) 1987-03-17 US disclosed
US-4647668-A Disopyramide phenyl derivatives and labeled conjugates MILES LABORATORIES, INC. (US) 1987-03-03 US disclosed
EP-0095665-B1 LABELLED CONJUGATES OF ETHOSUXIMIDE, ETHOSUXIMIDE IMMUNOGENS, ANTIBODIES THERETO, IMMUNOASSAY METHOD EMPLOYING THE ANTIBODIES AND REAGENT MEANS, TEST KIT AND TEST DEVICE FOR THE IMMUNOASSAY METHOD MILES LABORATORIES, INC. (US) 1986-08-06 EP disclosed
EP-0144695-A1 Immunogens, antibodies, labeled conjugates, and related derivatives for lidocaine and analogs thereof MILES INC. (US) 1985-06-19 EP disclosed
EP-0142324-A2 Phenylalkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-22 EP disclosed
EP-0113100-A2 Disopyramide immunogens, antibodies, labeled conjugates, and related derivatives MILES LABORATORIES, INC. (US) 1984-07-11 EP disclosed
EP-0095665-A1 Labelled conjugates of ethosuximide, ethosuximide immunogens, antibodies thereto, immunoassay method employing the antibodies and reagent means, test kit and test device for the immunoassay method MILES LABORATORIES, INC. (US) 1983-12-07 EP disclosed
US-4238623-A 5,6-Benzo analogues of prostaglandin MILES LABORATORIES, INC. (US) 1980-12-09 US disclosed
US-4100352-A Cyclohexanone-5,6-benzo analogues of prostaglandin MILES LABORATORIES, INC. (US) 1978-07-11 US disclosed
US-4100353-A 5,6-Benza analogues of prostaglandin F MILES LABORATORIES, INC. (US) 1978-07-11 US disclosed
US-4100185-A Cyclohexanone 5,6-benzo analogues of prostaglandin E MILES LABORATORIES, INC. (US) 1978-07-11 US disclosed
US-4097516-A 5,6-Benzo analogues of prostaglandin E MILES LABORATORIES, INC. (US) 1978-06-27 US disclosed
US-4097496-A ANTIPROSTAGLANDIN ACTIVITY HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4096336-A OXYTOCICS, ANTIULCER, BRONCHODILATION, ANTICOAGULANT, HYPOTENSIVE MILES LABORATORIES, INC. (US) 1978-06-20 US disclosed
US-4083990-A ANTIPROSTAGLANDIN EFFECT HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3984459-A ANTI-PROSTAGLANDINS HOECHST AKTIENGESELLSCHAFT (DT) 1976-10-05 US disclosed