SCHEMBL17728271

SCHEMBL17728271

CCCCCCCCCCCCCCCCCC(C)N.CCCCCCCCCCNCCCCCCCCCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.70
TP53 P04637 1/20 0.61
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
SPHK1 Q9NYA1 1/20 0.47
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH4 P08319 2/20 0.44
ADH7 P40394 2/20 0.44
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL21900855 1.00 OPRM1 (0.70) OPRM1TP53ALDH1A1TSHRSPHK1
Lithium Ion SCHEMBL1459206 0.96 OPRM1 (0.64) OPRM1TP53ALDH1A1TSHRSPHK1
Lithium Ion SCHEMBL1459203 0.94 OPRM1 (0.67) OPRM1TP53ALDH1A1TSHRSPHK1
Lithium Ion SCHEMBL1458552 0.92 OPRM1 (0.58) OPRM1TP53ALDH1A1TSHRSPHK1
Lithium Ion SCHEMBL1459593 0.92 OPRM1 (0.58) OPRM1TP53ALDH1A1TSHRSPHK1
SCHEMBL2241683 0.91 ALDH1A1 (0.56) OPRM1TP53ALDH1A1TSHRSPHK1
SCHEMBL12652021 0.91 ALDH1A1 (0.56) OPRM1TP53ALDH1A1TSHRSPHK1
Hydrochloric Acid SCHEMBL6659299 0.89 ALDH1A1 (0.54) OPRM1TP53ALDH1A1TSHRSPHK1
Lithium Ion SCHEMBL12983285 0.89 OPRM1 (0.60) OPRM1TP53ALDH1A1TSHRSPHK1
SCHEMBL24916554 0.89 TSHR (0.59) OPRM1TP53ALDH1A1TSHRSPHK1

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
US-20160131976-A1 RESIST COMPOSITION FOR SEMICONDUCTOR MANUFACTURING PROCESS; RESIST FILM, RESIST-COATED MASK BLANKS, PHOTOMASK, AND RESIST PATTERNING METHOD USING SAID RESIST COMPOSITION; ELECTRONIC-DEVICE MANUFACTURING METHOD; AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-05-12 US disclosed