SCHEMBL8555851

SCHEMBL8555851

CC1(C)CCC(C)(C)c2cc(C(N)C(=O)NCS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
SPPL2A Q8TCT8 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
RXRA P19793 5/20 0.43
RXRB P28702 3/20 0.43
MAPT P10636 1/20 0.40
CYP26A1 O43174 5/20 0.40
CYP26B1 Q9NR63 5/20 0.40
CYP3A4 P08684 2/20 0.40
RARB P10826 8/20 0.40
RARG P13631 8/20 0.40
RARA P10276 5/20 0.40
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXRG P48443 2/20 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
SCHEMBL8557343 0.80 CTSS (0.48) RXRARXRBMAPTCYP26A1CYP26B1
SCHEMBL8556496 0.80 RXRA (0.47) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL8556266 0.77 RARG (0.45) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL8556008 0.74 RXRA (0.48) RXRARXRBMAPTCYP26A1CYP26B1
SCHEMBL8557284 0.74 RXRA (0.46) PSEN1PSEN2SPPL2AAPH1BNCSTN
SCHEMBL8556007 0.73 RARB (0.50) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL8106316 0.73 CYP26A1 (0.44) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL8681352 0.71 RXRA (0.44) PSEN1PSEN2SPPL2AAPH1BNCSTN
SCHEMBL8093046 0.70 RARB (0.64) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL8103042 0.70 RARB (0.47) RXRARXRBMAPTCYP26A1CYP26B1

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
EP-0853619-A1 DISUBSTITUTED PIPERIDINE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-07-22 EP claimed
WO-1997013769-A1 DISUBSTITUTED PIPERIDINE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-04-17 WO claimed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed