SCHEMBL9159332

SCHEMBL9159332

COc1cc(C=Cc2cc(=O)c3cccc(CC(=O)O)c3o2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
STING1 Q86WV6 2/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42

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
SCHEMBL9162712 0.84 ALDH1A1 (0.61) STING1GLAKDM4EALDH1A1HPGD
SCHEMBL9164212 0.80 KDM4E (0.50) STING1GLAKDM4EALDH1A1HPGD
SCHEMBL9976042 0.76 KDM4E (0.64) MAOAMAOBGLAKDM4EALDH1A1
SCHEMBL12835507 0.73 ALDH1A1 (0.70) STING1GLAKDM4EALDH1A1HPGD
SCHEMBL11732582 0.73 ALDH1A1 (0.50) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL11732591 0.73 ALDH1A1 (0.50) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL9160443 0.72 ALDH1A1 (0.61) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL9160435 0.72 ALDH1A1 (0.61) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL9163251 0.71 STING1 (0.58) STING1GLAKDM4ESMN1; SMN2
SCHEMBL9526692 0.71 HSD17B10 (0.53) STING1GLAKDM4EALDH1A1HPGD

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-5409952-A Anticancer agents ADIR ET COMPAGNIE (FR) 1995-04-25 US disclosed