SCHEMBL9856646

SCHEMBL9856646

CC1(C)CCNc2cc[c]cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
RARA P10276 1/20 0.40
HSPA9 P38646 4/20 0.36
KDM1A O60341 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL1450895 0.86 RARB (0.40) RARBRARGRARAHSPA9KDM1A
SCHEMBL6755319 0.81 HTR2A (0.31) AR
SCHEMBL30993810 0.73 KDM1A (0.53) RARBRARGRARAHSPA9KDM1A
SCHEMBL397152 0.73 KDM1A (0.53) RARBRARGRARAHSPA9KDM1A
SCHEMBL2014128 0.72 RXRA (0.33) RARBRARGRARA
SCHEMBL3714772 0.69 RARB (0.50) RARBRARGRARAHSPA9KDM1A
SCHEMBL816209 0.68
SCHEMBL19859121 0.68 RARB (0.49) RARBRARGRARAHSPA9KDM1A
SCHEMBL9057990 0.68 RARB (0.49) RARBRARGRARAHSPA9KDM1A
SCHEMBL1396642 0.68 RARB (0.49) RARBRARGRARAHSPA9AR

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-0263492-B1 RETINOIDS, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed
US-4900478-A SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-02-13 US disclosed
EP-0263492-A1 Retinoids, their preparation and use as pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 1988-04-13 EP disclosed