SCHEMBL20100384

SCHEMBL20100384

C=C(C)C(=O)OC(C(=O)NC(=O)c1ccc(C(F)(F)F)cc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TRPV1 Q8NER1 3/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
MLYCD O95822 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GSK3B P49841 1/20 0.36
MTOR P42345 2/20 0.36
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.35

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
SCHEMBL20100412 0.89 ALDH1A1 (0.42) NPC1RAB9ALMNA
SCHEMBL20100439 0.87 NPC1 (0.41) NPC1RAB9ACRHBPCRHR2TRPV1
SCHEMBL20100407 0.84 KMT2A (0.46) NPC1RAB9ANPSR1LMNA
SCHEMBL20100308 0.76 ALDH1A1 (0.34)
SCHEMBL20100388 0.75 HDAC1 (0.44) RAB9ALMNA
SCHEMBL20100408 0.73 NPC1 (0.50) NPC1RAB9ACRHBPCRHR2TRPV1
SCHEMBL20100440 0.73 ALDH1A1 (0.45) NPC1RAB9ACRHBPCRHR2TRPV1
SCHEMBL26816132 0.73 CES2 (0.41) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL24534568 0.72 NPC1 (0.49) NPC1RAB9ACRHBPCRHR2TRPV1
SCHEMBL20100309 0.71 ALDH1A1 (0.35)

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-10042259-B2 Topcoat compositions and pattern-forming methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
US-10042259-B2 Topcoat compositions and pattern-forming methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed