SCHEMBL8468342

SCHEMBL8468342

CC(S)CCc1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.54
MAOB P27338 4/20 0.46
MAOA P21397 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP19A1 P11511 5/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
RECQL P46063 1/20 0.39
TAAR1 Q96RJ0 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37

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
SCHEMBL8468315 0.88 MAOB (0.50) GFERMAOBMAOATDP1ALDH1A1
SCHEMBL2408286 0.82 GFER (0.59) GFERMAOBMAOATDP1ALDH1A1
SCHEMBL17100984 0.78 GFER (0.54) GFERMAOBMAOATDP1ALDH1A1
SCHEMBL20634143 0.78 ESR1 (0.54) ALDH1A1CYP3A4TSHRTAAR1CYP1A2
SCHEMBL6729364 0.77 TSHR (0.48) ALDH1A1TSHRCYP1A2
SCHEMBL17807999 0.77 TSHR (0.48) ALDH1A1TSHRCYP1A2
SCHEMBL8100935 0.77 CYP3A4 (0.58) GFERMAOBMAOATDP1ALDH1A1
SCHEMBL27906651 0.77 GFER (0.52) GFERMAOBMAOATDP1ALDH1A1
SCHEMBL18789292 0.77 GFER (0.65) GFERMAOBMAOATDP1ALDH1A1
SCHEMBL8468444 0.76 MAOB (0.55) MAOBMAOAALDH1A1CYP3A4TSHR

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-5869471-A Methods for the treatment of arthritis using phosphonates and NSAIDS THE PROCTOR & GAMBLE COMPANY (US) 1999-02-09 US disclosed
US-5824661-A TREATMENT OF OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-10-20 US disclosed