SCHEMBL2158616

SCHEMBL2158616

Cc1ccc(-c2ccc(CCCS)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.45
▸ FDFT1 P37268 1/20 0.44
▸ CHRNA7 P36544 2/20 0.42
▸ CHRNA10 Q9GZZ6 2/20 0.42
▸ CHRNA9 Q9UGM1 2/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ RARB P10826 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL5574530 0.94 IGF1R (0.48) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL5609061 0.93 IDO1 (0.56) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL2158412 0.86 IDO1 (0.54) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL5610023 0.86 IDO1 (0.54) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL12125077 0.84 IDO1 (0.52) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL14367056 0.83 RARB (0.47) HRH3RARBTSHRHSD17B10
SCHEMBL19263826 0.81 CYP1A2 (0.59) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL24372592 0.80 FFAR1 (0.50) IDO1TAAR1FDFT1KCNH2TSHR
SCHEMBL2492800 0.80 RARB (0.58) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL5605676 0.79 IDO1 (0.62) IDO1CYP1A2CYP2A6TAAR1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9415328-B2 Modified surfaces UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2016-08-16 — — US disclosed
US-20140311966-A1 MODIFIED SURFACES UNIV ST ANDREWS (GB) 2014-10-23 — — US disclosed
US-8778454-B2 Modified surfaces UNIVERSIT COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2014-07-15 — — US disclosed
US-20110183123-A1 Modified Surfaces University Court of the University of St. Andrews College Gate (GB) 2011-07-28 — — US disclosed
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