SCHEMBL7940001

SCHEMBL7940001

CC1(C)CCCc2cc(C(=O)Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.50
RXRB P28702 7/20 0.50
RXRG P48443 6/20 0.50
KDM1A O60341 2/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
GRM1 Q13255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
RARB P10826 4/20 0.41
RARG P13631 3/20 0.41
RARA P10276 2/20 0.39
CYP26A1 O43174 2/20 0.39
CYP26B1 Q9NR63 1/20 0.39

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
SCHEMBL7940005 0.89 RXRA (0.51) RXRARXRBRXRGKDM1AALDH1A1
SCHEMBL8731089 0.87 RXRA (0.54) RXRARXRBRXRGKDM1AKDM4E
SCHEMBL4425637 0.86 RXRA (0.51) RXRARXRBRXRGKDM1AKDM4E
SCHEMBL8375020 0.86 RXRA (0.61) RXRARXRBRXRGKDM1AKDM4E
SCHEMBL2223215 0.81 GNG2 (0.52) RXRARXRBRXRGKDM1AKDM4E
SCHEMBL1022234 0.78 RXRA (0.63) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL18585497 0.76 ALDH1A1 (0.68) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL6582499 0.76 ALDH1A1 (0.62) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL12516220 0.76 MAPT (0.53) RXRARXRBRXRGKDM1AKDM4E
SCHEMBL8733110 0.76 RXRA (0.55) RXRARXRBRXRGALDH1A1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313162-B1 FOR USE IN HUMAN OR VETERINARY MEDICINE SUCH AS DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHHALMOLOGICAL DISORDERS; AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) GALDERMA (FR) 2001-11-06 US disclosed
US-6046220-A ADMINISTERING TO THE PATIENT A PROPYNYL OR DIENYL BIAROMATIC COMPOUND TO TREAT A SKIN DISORDER, INFLAMMATORY CONDITIONS, VISION DEFECTS, ALOPECIA, CARDIOVASCULAR DISORDER, CANCER OR PRECANCER AND INSULIN DEPENDANT DIABETES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-04-04 US disclosed