SCHEMBL10490941

SCHEMBL10490941

COc1ccc(C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAOA P21397 1/20 0.47
PTGS2 P35354 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
P4HB P07237 2/20 0.47
EDNRA P25101 2/20 0.47
EDNRB P24530 1/20 0.47
CCNE2 O96020 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PSMB11 A5LHX3 1/20 0.43

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
SCHEMBL10490943 0.85 HDAC4 (0.47) HPGDP4HBHDAC4HDAC8
SCHEMBL10490935 0.81 HDAC4 (0.46) NPC1MAPTRAB9ASMN1; SMN2HDAC4
SCHEMBL9421974 0.80 ALDH1A1 (0.47) MAPTHPGDMAOASMN1; SMN2EDNRA
SCHEMBL10490976 0.77 MEN1 (0.54) TP53MAPTHPGDP4HB
SCHEMBL8062512 0.76 P4HB (0.42) MAPTP4HBCCNE2CDK4CCND1
SCHEMBL9178368 0.75 ALDH1A1 (0.52) NPC1MAPTRAB9AP4HBHDAC4
SCHEMBL8077882 0.75 HTT (0.42) NPC1HPGDRAB9ASMN1; SMN2P4HB
SCHEMBL8062515 0.74 P4HB (0.41) P4HBCCNE2CDK4CCND1CCNE1
SCHEMBL28611915 0.73 P4HB (0.40) P4HBCCNE2CDK4CCND1CCNE1
SCHEMBL8063601 0.73 NFKB1 (0.50) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4843097-A ANTITUMOR AGENTS, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GROUPEMENT D'INTERET ECONOMIQUE DIT: CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-06-27 US claimed
US-4889865-A COSMETICS, SKIN DISORDERS, ANTICARCINOGENIC AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-12-26 US disclosed
US-4843097-A ANTITUMOR AGENTS, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GROUPEMENT D'INTERET ECONOMIQUE DIT: CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-06-27 US disclosed