SCHEMBL7782012

SCHEMBL7782012

CC(CO)c1ccc2c(c1)C(C)(C)C(C)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
RXRA P19793 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KARS1 Q15046 1/20 0.31
RXRB P28702 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8824861 1.00 ABCB11 (0.41) ABCB11RXRAPSEN1PSEN2APH1B
SCHEMBL20610680 0.80 LMNA (0.36) RXRAKARS1RXRBALDH1A1GAA
SCHEMBL11250019 0.77 LMNA (0.40) RXRAALDH1A1HSD17B10
SCHEMBL10355818 0.75 RXRA (0.39) RXRA
SCHEMBL7787543 0.75 ABCB11 (0.46) ABCB11RXRAKARS1RXRBUSP2
SCHEMBL11272098 0.74 ABCB11 (0.37) ABCB11
SCHEMBL11272531 0.74 ABCB11 (0.37) ABCB11
SCHEMBL9587601 0.70 CYP26A1 (0.38) RXRAGAAHSD17B10
SCHEMBL10912346 0.70 ABCB11 (0.39) ABCB11RXRAPSEN1PSEN2APH1B
SCHEMBL9724307 0.69 RXRA (0.36) RXRARXRBALDH1A1GAA

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
JP-63010782-A None JP disclosed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
EP-0120257-A1 Process for the preparation of isochroman derivatives HAARMANN & REIMER GMBH (DE) 1984-10-03 EP disclosed
EP-0104195-A1 FRIEDEL CRAFT REACTIONS BUSH BOAKE ALLEN Limited (GB) 1984-04-04 EP disclosed
WO-1983003247-A1 FRIEDEL CRAFT REACTIONS FERBER, GERALD, JOHN 1983-09-29 WO disclosed
US-4178311-A Process for the production of compounds useful in perfumery INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-12-11 US disclosed
EP-0004914-A1 Process for the production of compounds useful in perfumery INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-10-31 EP disclosed
US-4162256-A Process for the production of compounds useful in perfumery INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-07-24 US disclosed
US-4123469-A Process for production of bicyclic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-31 US disclosed
US-3978090-A Process for production of isochromans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-08-31 US disclosed