SCHEMBL9345442

SCHEMBL9345442

Cc1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MCL1 Q07820 1/20 0.45
AKR1C3 P42330 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 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
SCHEMBL10787325 0.84 FOLH1 (0.47) HSD17B10NPC1RAB9A
SCHEMBL21486 0.84 HNF4A (0.52) AKR1C3AKR1C2AKR1C1KDM4EALDH1A1
SCHEMBL6868591 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL17744783 0.83 ALDH1A1 (0.42) SMN1; SMN2MCL1KDM4EHSD17B10ALDH1A1
SCHEMBL2394811 0.82 AKR1C2 (0.44) AKR1C3AKR1C2AKR1C1KMT2AMEN1
SCHEMBL11430860 0.82 PRKAB2 (0.46) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6884345 0.82 SMN1; SMN2 (0.62) SMN1; SMN2AKR1C3PRKAB2PRKAG1PRKAA2
SCHEMBL988420 0.81 MCL1 (0.47) SMN1; SMN2MCL1AKR1C3PRKAB2PRKAG1
SCHEMBL6870968 0.80 EGFR (0.50) SMN1; SMN2KDM4EHSD17B10ALDH1A1GAA
SCHEMBL27024028 0.78 HNF4A (0.48) MCL1AKR1C3AKR1C2AKR1C1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318027-B1 Fluororubber-containing powder coating composition DAIKIN IND LTD (JP) 1994-07-06 EP claimed
US-4628336-A POLYPHENYL ESTERS; SOIL RESISTANCE; IMAGE STABILITY JUJO PAPER CO., LTD. (JP) 1986-12-09 US disclosed
EP-0036385-B1 INSECTICIDAL VAPOUR-EMITTING COMPOSITIONS ON THE BASIS OF PYRETHRINOIDS Airwick AG (CH) 1984-05-02 EP disclosed
EP-0036385-A2 Insecticidal vapour-emitting compositions on the basis of pyrethrinoids Airwick AG (CH) 1981-09-23 EP disclosed