SCHEMBL20100440

SCHEMBL20100440

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
RHOC P08134 2/20 0.43
RHOA P61586 2/20 0.43
NPC1 O15118 1/20 0.42
CRHBP P24387 1/20 0.42
RAB9A P51151 1/20 0.42
CRHR2 Q13324 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL20100360 0.88 TDP1 (0.56) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL20100442 0.83 ATM (0.55) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL20100408 0.76 NPC1 (0.50) NPC1CRHBPRAB9ACRHR2TRPV1
SCHEMBL24534568 0.75 NPC1 (0.49) NPC1CRHBPRAB9ACRHR2TRPV1
SCHEMBL28941998 0.75 NPSR1 (0.52) ALDH1A1MAPTNPC1CRHBPRAB9A
SCHEMBL20100439 0.75 NPC1 (0.41) NPC1CRHBPRAB9ACRHR2TRPV1
SCHEMBL10885394 0.74 MAOB (0.52) ALDH1A1MAPTMMP1MAOB
SCHEMBL20100317 0.73 TSHR (0.39) ALDH1A1
SCHEMBL20100384 0.73 NPC1 (0.39) NPC1CRHBPRAB9ACRHR2TRPV1
SCHEMBL26163219 0.72 CES2 (0.57) NPC1CRHBPRAB9ACRHR2TRPV1

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