SCHEMBL10458802

SCHEMBL10458802

O=C(c1ccc(O)cc1)C1(N2CCOCC2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
THRB P10828 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.41
PRKDC P78527 1/20 0.41
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PHGDH O43175 1/20 0.36

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
SCHEMBL10458636 0.98 THRB (0.44) ATMTHRBLMNAGAAPRKDC
SCHEMBL9680457 0.85 GSK3B (0.49) ATMTHRBLMNAGAAPRKDC
SCHEMBL12013268 0.85 LMNA (0.43) THRBLMNAHPGDMAPTALDH1A1
SCHEMBL10456871 0.84 CYP3A4 (0.55) LMNAHPGDMAPTALDH1A1KDM4E
SCHEMBL9679919 0.83 MAPT (0.48) THRBLMNAGAAHPGDMAPT
SCHEMBL9681734 0.83 CYP3A4 (0.54) LMNAHPGDMAPTALDH1A1KDM4E
SCHEMBL12855171 0.83 THRB (0.44) THRBLMNAHPGDALDH1A1KDM4E
SCHEMBL274970 0.82 SMN1; SMN2 (0.51) THRBLMNAHPGDMAPTALDH1A1
SCHEMBL306036 0.82 THRB (0.44) THRBLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL9679446 0.82 MAPT (0.47) THRBLMNAGAAHPGDMAPT

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