SCHEMBL8907762

SCHEMBL8907762

COc1cc2c(cc1C(=O)COc1ccc(C(=O)OCc3ccccc3)c(O)c1)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
USP2 O75604 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
MAOB P27338 1/20 0.45
RXRA P19793 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 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
SCHEMBL8907597 0.91 MAOB (0.49) L3MBTL1NPC1RAB9AUSP2CASP3
SCHEMBL8907763 0.87 RXRA (0.53) NPC1RAB9AMAPTRXRAKMT2A
SCHEMBL9261830 0.86 MAOB (0.46) L3MBTL1NPC1RAB9AUSP2CASP3
SCHEMBL8907584 0.84 CYP3A4 (0.61) NPC1MAOBRXRATDP1KMT2A
SCHEMBL9263958 0.81 MAOB (0.51) L3MBTL1MAPTTSHRMAOBRXRA
SCHEMBL9282793 0.80 MAOB (0.53) L3MBTL1TSHRMAOBRXRATDP1
SCHEMBL8907772 0.79 PARP15 (0.50) NPC1RAB9AMAPTKDM4EMAOB
SCHEMBL8872406 0.78 RARA (0.46) L3MBTL1NPC1RAB9AUSP2CASP3
SCHEMBL8908720 0.77 CYP3A4 (0.54) NPC1RAB9AMAPTMAOBRXRA
SCHEMBL8839385 0.77 TDP1 (0.50) L3MBTL1MAPTKDM4ETSHRMAOB

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-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed