SCHEMBL9811060

SCHEMBL9811060

Oc1c[nH]c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
ALOX5 P09917 1/20 0.42
NOTUM Q6P988 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
POLB P06746 2/20 0.39
PTPN11 Q06124 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL27031441 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EGAATHRB
SCHEMBL31466562 0.75 MAPT (0.42) ALDH1A1MAPTKDM4EGAATHRB
SCHEMBL194014 0.71 MCL1 (0.46) ALDH1A1MAPTKDM4EGAATHRB
SCHEMBL9336034 0.69 MAPT (0.55) ALDH1A1MAPTKDM4EGAATHRB
SCHEMBL1022492 0.66 ESR1 (0.69) ALDH1A1MAPTKDM4EALOX5CYP1A2
SCHEMBL6068306 0.66 ABL1 (0.67) ALOX5CYP1A2CYP3A4RAB9ANPC1
SCHEMBL1531261 0.65 MKNK1 (0.61) ALDH1A1MAPTKDM4EGAAMKNK1
SCHEMBL9048096 0.64 KMT2A (0.64) MAPTMKNK1MKNK2POLBMEN1
SCHEMBL5174500 0.64
SCHEMBL20392618 0.64 MMP3 (0.58) MAPTTHRBMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4716236-A Method for synthesizing esters MILES LABORATORIES, INC. (US) 1987-12-29 US claimed
EP-0157327-B1 NOVEL COMPOUNDS FOR DETECTING THE PRESENCE OF HYDROLYTIC ANALYTES IN A TEST SAMPLE MILES INC. (US) 1991-06-12 EP disclosed
EP-0158204-B1 COMPOSITION AND TEST DEVICE FOR DETERMINING THE PRESENCE OF LEUKOCYTES, CONTAINING A ZWITTERION COUPLING AGENT MILES INC. (US) 1989-11-23 EP disclosed
EP-0157326-B1 COMPOSITION AND TEST DEVICE FOR DETERMINING THE PRESENCE OF LEUKOCYTES, ESTERASE AND PROTEASE IN A TEST SAMPLE MILES INC. (US) 1989-05-31 EP disclosed
US-4774340-A AMINATION, CYCLIZATION, ESTERIFICATION MILES INC. (US) 1988-09-27 US disclosed
US-4716236-A Method for synthesizing esters MILES LABORATORIES, INC. (US) 1987-12-29 US disclosed
US-4704460-A LEUKOCYTES IN URINE MILES LABORATORIES, INC. (US) 1987-11-03 US disclosed
US-4657855-A DIP-AND-READ, UROGENITAL DISORDERS MILES LABORATORIES, INC. (US) 1987-04-14 US disclosed
US-4645842-A DETECTING LEUKOCYTES TO INDICATE KIDNEY OR UROGENITAL DISORDERS MILES LABORATORIES, INC. (US) 1987-02-24 US disclosed
US-4637979-A Composition and test device for determining the presence of leukocytes containing a zwitterion coupling agent MILES LABORATORIES, INC. (US) 1987-01-20 US disclosed
EP-0158204-A2 Composition and test device for determining the presence of leukocytes, containing a zwitterion coupling agent MILES INC. (US) 1985-10-16 EP disclosed
EP-0158226-A2 Method of synthesizing esters MILES INC. (US) 1985-10-16 EP disclosed
EP-0157327-A2 Novel compounds for detecting the presence of hydrolytic analytes in a test sample MILES INC. (US) 1985-10-09 EP disclosed
EP-0157326-A2 Composition and test device for determining the presence of leukocytes, esterase and protease in a test sample MILES INC. (US) 1985-10-09 EP disclosed