SCHEMBL9304425

SCHEMBL9304425

CCC(Oc1cccc(OC(C)(C)C)c1)Oc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAOB P27338 1/20 0.38
MCL1 Q07820 2/20 0.38
BCL2L1 Q07817 1/20 0.38
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9304682 0.90 KDM4E (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL9304416 0.82 PPARD (0.51) MAOBPPARA
SCHEMBL8069539 0.74 ALDH1A1 (0.49) ALDH1A1TSHRCA12CA1CA2
SCHEMBL9304432 0.73 MAOB (0.43) MAOBMAPK1PPARA
SCHEMBL9304670 0.72 MCL1 (0.48) MCL1PPARAEGLN1EGLN3
SCHEMBL10437325 0.72 MCL1 (0.41) ALDH1A1MAOBMCL1BCL2L1HPGD
SCHEMBL10437326 0.72 MAOB (0.38) ALDH1A1TSHRCA12CA1CA2
SCHEMBL20496423 0.72 NPC1 (0.65) ALDH1A1TSHRCA12CA1CA2
SCHEMBL29696501 0.72 NPC1 (0.65) ALDH1A1TSHRCA12CA1CA2
SCHEMBL9184085 0.72 CYP4F2 (0.42) MAOBMCL1BCL2L1

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-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed