SCHEMBL10458558

SCHEMBL10458558

COc1ccc(C(=O)C2(N(C)C)CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
LMNA P02545 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL10458131 0.85 MEN1 (0.46) CES2CES1CA1CA2HPGD
SCHEMBL9679489 0.81 ALDH1A1 (0.50) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL10458499 0.81 MEN1 (0.45) CES2CES1CA1CA2MEN1
SCHEMBL9679930 0.81 LMNA (0.42) HPGDOPRM1OPRL1SLC6A2SLC6A4
SCHEMBL14040096 0.79 CES2 (0.52) CES2CES1CA1CA2HPGD
SCHEMBL28669997 0.79 CES2 (0.52) CES2CES1CA1CA2HPGD
SCHEMBL14040099 0.78 CES2 (0.50) CES2CES1CA1CA2HPGD
SCHEMBL4611297 0.78 GSK3B (0.51) CES2CES1CA1CA2HPGD
SCHEMBL10384839 0.78 CES2 (0.50) CES2CES1CA1CA2HPGD
SCHEMBL3315382 0.74 CES2 (0.46) CES2CES1CA1CA2HPGD

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