SCHEMBL9681676

SCHEMBL9681676

COc1ccc(C(=O)C2(C)Cc3ccccc3CN2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43

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
SCHEMBL10886045 0.72 RAB9A (0.34) RAB9AGAA
SCHEMBL5334825 0.72 ALDH1A1 (0.40) ALDH1A1TSHRMAPTGAAL3MBTL1
SCHEMBL10458872 0.70 KMT2A (0.46) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL335681 0.66 MAPK1 (0.77) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL29415167 0.66 MAPK1 (0.77) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5154533 0.65 MAPK1 (0.74) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL1493250 0.64 CYP1A2 (1.00) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL29618985 0.64 TSHR (0.76) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3758910 0.64 TSHR (0.76) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL4826226 0.64 CYP1A2 (0.75) ALDH1A1HTTCYP1A2CYP3A4CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
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
EP-0117233-A1 Coloured photo-curable mouldings CIBA-GEIGY AG (CH) 1984-08-29 EP disclosed