SCHEMBL11024804

SCHEMBL11024804

COc1ccc(CSC(=O)CCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
ALOX5 P09917 3/20 0.60
PLAAT3 P53816 2/20 0.59
PLAAT5 Q96KN8 2/20 0.59
PLAAT2 Q9NWW9 2/20 0.59
PLAAT4 Q9UL19 2/20 0.59
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
RECQL P46063 1/20 0.53
MEN1 O00255 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
F2RL1 P55085 1/20 0.49
IDO1 P14902 1/20 0.49

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
SCHEMBL8505182 0.93 NPC1 (0.61) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL503646 0.78 ALOX5 (0.68) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL1303471 0.78 NPC1 (0.85) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL5632470 0.78 LTA4H (0.69) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL31329294 0.77 ALDH1A1 (0.61) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL9656147 0.77 NPC1 (0.51) ALDH1A1RAB9ANPC1KMT2APOLB
SCHEMBL24800806 0.77 F2RL1 (0.74) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL10823756 0.77 IDO1 (0.59) ALDH1A1ALOX5KMT2AF2RL1IDO1
SCHEMBL6710455 0.77 ALOX5 (0.66) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL8436880 0.77 IDO1 (0.59) ALOX5POLBTDP1F2RL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0158947-A2 Amino thiol dipeptides E.R. Squibb & Sons, Inc. (US) 1985-10-23 EP disclosed