SCHEMBL10823708

SCHEMBL10823708

C=CCc1ccccc1OC(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ ADRB2 P07550 3/20 0.43
▸ ADRB1 P08588 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ BDKRB2 P30411 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43

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
SCHEMBL278521 0.86 KDM4E (0.49) KDM4EALDH1A1ELANEADRB2ADRB1
SCHEMBL7157956 0.86 KDM4E (0.49) KDM4EALDH1A1ELANEADRB2ADRB1
SCHEMBL5448543 0.84 KDM4E (0.48) KDM4EALDH1A1ELANEADRB2ADRB1
SCHEMBL861238 0.84 KDM4E (0.51) KDM4EALDH1A1ELANEADRB2ADRB1
SCHEMBL29094175 0.83 KDM4E (0.48) KDM4EALDH1A1MAPTELANEADRB2
SCHEMBL311912 0.83 THRA (0.60) KDM4EALDH1A1ELANEADRB2ADRB1
SCHEMBL10337558 0.83 ALDH1A1 (0.44) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL1399489 0.83 ALOX5 (0.55) KDM4EALDH1A1MAPTELANEADRB2
SCHEMBL9803925 0.83 KDM4E (0.47) KDM4EALDH1A1ELANEADRB2ADRB1
SCHEMBL9860292 0.83 KDM4E (0.50) KDM4EALDH1A1MAPTELANEADRB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61012664-A — — None — — JP disclosed
JP-S6112664-A PRODUCTION OF THIOCARBAMATE DERIVATIVE TOYO SODA MFG CO LTD 1986-01-21 — — JP disclosed
US-4069340-A ARYLOXY DIMETHYL IMMONIUM CHLORIDES FROM DIMETHYL FORMAMIDE AND CORRESPONDING ARYL CHLOROFORMATES HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-01-17 — — US disclosed
US-4059615-A INSECTICIDE, POLYMER INTERMEDIATE HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-11-22 — — US disclosed
US-3983178-A Immonium salts and derivatives thereof HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-09-28 — — US disclosed
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