SCHEMBL8405030

SCHEMBL8405030

Cc1cccc(CC(=O)O)c1.O=C(O)Cc1cccc(CO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.55
MEN1 O00255 1/20 0.52
FFAR1 O14842 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.50
AKR1B1 P15121 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 2/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL29407189 0.91 CTBP2 (0.64) CTBP2MEN1FFAR1TP53GLA
SCHEMBL504093 0.91 CTBP2 (0.64) CTBP2MEN1FFAR1TP53GLA
SCHEMBL2532630 0.91 CTBP2 (0.64) CTBP2MEN1FFAR1TP53GLA
SCHEMBL27949534 0.89 CTBP2 (0.62) CTBP2MEN1FFAR1TP53GLA
Ammonia Solution, Strong SCHEMBL22042028 0.89 CTBP2 (0.62) CTBP2MEN1FFAR1TP53GLA
Ammonia Solution, Strong SCHEMBL27920742 0.89 CTBP2 (0.62) CTBP2MEN1FFAR1TP53GLA
Hydrochloric Acid SCHEMBL2526973 0.89 CTBP2 (0.62) CTBP2MEN1FFAR1TP53GLA
SCHEMBL1401775 0.89 AKR1B1 (0.60) MEN1FFAR1KMT2APOLBAKR1B1
Malonic Acid SCHEMBL27771971 0.86 NPC1 (0.50) CTBP2MEN1FFAR1TP53GLA
SCHEMBL8405033 0.83 CTBP2 (0.49) CTBP2KMT2APOLBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5928912-A EFFICIENT BIOSYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed