SCHEMBL10985308

SCHEMBL10985308

COc1ccc(Nc2ccc(Cl)cc2C(=O)O)cc1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.84
KMT2A Q03164 4/20 0.84
LMNA P02545 2/20 0.84
POLB P06746 1/20 0.84
MAPT P10636 1/20 0.84
HPGD P15428 1/20 0.71
GFER P55789 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
AKR1C3 P42330 12/20 0.71
AKR1C2 P52895 12/20 0.71
CTSV O60911 1/20 0.64
CTSL P07711 1/20 0.64
GRIK1 P39086 1/20 0.62
PKM P14618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL31500214 1.00 MEN1 (0.84) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL10834344 0.89 AKR1C3 (0.84) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL11158177 0.89 KMT2A (0.67) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL9593627 0.88 MEN1 (0.83) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL31500229 0.86 AKR1C3 (0.72) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL1415572 0.85 AKR1C3 (0.82) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL9595705 0.84 AKR1C3 (0.71) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL22453057 0.83 MEN1 (0.83) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL31500240 0.83 AKR1C3 (0.69) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL11426536 0.83 AKR1C3 (0.69) MEN1KMT2ALMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4549016-A LIPOXYGENASE INHIBITORS, ANTIALLERGENS, ANTIASTHMA AGENTS STERLING DRUG INC. (US) 1985-10-22 US disclosed
US-4510139-A ANTYIALLERGENS; ASTHMA STERLING DRUG INC. (US) 1985-04-09 US disclosed
US-4496590-A TREATMENT OR PREVENTION OF ALLERGIC ASTHMA, ANTI-ASTHMATIC STERLING DRUG INC. (US) 1985-01-29 US disclosed
EP-0122518-A1 Phenylaminobenzenealkanols and preparation STERLING DRUG INC. (US) 1984-10-24 EP disclosed
EP-0013144-B1 SUBSTITUTED DIPHENYLAMINE DERIVATIVES, COMPOSITIONS AND HERBICIDAL USES THEREOF, AND PROCESSES FOR THEIR PREPARATION ICI AUSTRALIA LIMITED (AU) 1983-02-23 EP disclosed
EP-0013144-A1 Substituted diphenylamine derivatives, compositions and herbicidal uses thereof, and processes for their preparation ICI AUSTRALIA LIMITED (AU) 1980-07-09 EP disclosed