SCHEMBL10458477

SCHEMBL10458477

COc1ccc(C(=O)C2(N3CCOCC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 2/20 0.53
USP2 O75604 1/20 0.53
ALOX12 P18054 1/20 0.53
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
FKBP1A P62942 2/20 0.49
AKR1C3 P42330 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL10456898 1.00 ALDH1A1 (0.53) ALDH1A1MAPTUSP2ALOX12LMNA
SCHEMBL10456871 0.94 CYP3A4 (0.55) ALDH1A1MAPTUSP2ALOX12LMNA
SCHEMBL9681734 0.93 CYP3A4 (0.54) ALDH1A1MAPTUSP2ALOX12LMNA
SCHEMBL10458501 0.87 CYP3A4 (0.48) ALDH1A1MAPTUSP2ALOX12LMNA
SCHEMBL18883176 0.86 CYP3A4 (0.48) ALDH1A1MAPTUSP2ALOX12LMNA
SCHEMBL10885964 0.81 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL10458478 0.80 FKBP1A (0.51) ALDH1A1MAPTUSP2LMNAKDM4E
SCHEMBL10458802 0.78 ATM (0.43) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL10458496 0.77 ALDH1A1 (0.48) ALDH1A1MAPTUSP2ALOX12LMNA
SCHEMBL10945043 0.77 ALDH1A1 (0.48) ALDH1A1MAPTUSP2ALOX12LMNA

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-4900823-A PHOTOINITIATORS FOR PHOTOCURING CIBA-GEIGY CORPORATION (US) 1990-02-13 US disclosed
US-4739052-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1988-04-19 US disclosed
US-4559371-A FOR PRINTING INKS AND PAINTS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed