SCHEMBL7450666

SCHEMBL7450666

Oc1cccc2c1[CH]C=CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
THRB P10828 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HPN P05981 1/20 0.35
ALOX5 P09917 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
KDR P35968 1/20 0.35
KMT2A Q03164 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35

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
SCHEMBL30042387 0.78 BCL2L1 (0.39) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL277192 0.78 BCL2L1 (0.39) BCL2L1BADALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL28866187 0.77 BCL2L1 (0.38) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL1923295 0.77 CYP1A2 (0.33) ALDH1A1TSHRCA2HPGDCA1
SCHEMBL11482406 0.75 CYP2D6 (0.36) ALDH1A1CYP3A4TSHRLMNADRD2
SCHEMBL6631852 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8894602 0.72 TTR (0.36) CDK2
SCHEMBL8666181 0.71 P2RX7 (0.35)
SCHEMBL4630517 0.68
SCHEMBL506663 0.67 BCL2L1 (0.50) BCL2L1BADALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5214256-A None JP disclosed
EP-0969841-A1 USE OF CARBOXYLIC ACID DERIVATIVES FOR TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1998041206-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
EP-0752854-A1 PYRIMIDINE OR TRIAZINE CARBOXYLIC ACID DERIVATIVES TO BE USED AS MEDICAMENTS BASF AKTIENGESELLSCHAFT (DE) 1997-01-15 EP disclosed
EP-0716654-A1 SUBSTITUTED LACTIC-ACID DERIVATIVES WITH AN ORGANIC N-GROUP IN THE BETA POSITION, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND ANTIDOTES BASF AKTIENGESELLSCHAFT (DE) 1996-06-19 EP disclosed
EP-0695296-A1 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1996-02-07 EP disclosed
EP-0695295-A1 3-(HETERO)ARYL CARBOXYLIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1996-02-07 EP disclosed
WO-1995026716-A1 PYRIMIDINE OR TRIAZINE CARBOXYLIC ACID DERIVATIVES TO BE USED AS MEDICAMENTS BASF AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed
US-5416093-A DIPEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1995-05-16 US disclosed
WO-1994025443-A1 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed
JP-H05214256-A AZO DYE CIBA GEIGY AG 1993-08-24 JP disclosed