SCHEMBL18756802

SCHEMBL18756802

C=C(C)CCCCC(C)NC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TRPV1 Q8NER1 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
FAAH O00519 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
MLYCD O95822 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30

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
SCHEMBL525054 0.86 FFAR4 (0.42) TGFBR1HDAC11MEN1KMT2A
SCHEMBL11675845 0.82 ADH1B (0.46) TGFBR1FAAHMEN1MAPK1KMT2A
SCHEMBL11747509 0.82 ADH1B (0.46) TGFBR1FAAHMEN1MAPK1KMT2A
SCHEMBL14219281 0.82 ADH1B (0.46) TGFBR1FAAHMEN1MAPK1KMT2A
SCHEMBL472265 0.82 ADH1B (0.46) TGFBR1FAAHMEN1MAPK1KMT2A
SCHEMBL27597202 0.81 TAS1R3 (0.45) TGFBR1FAAHMEN1MAPK1KMT2A
SCHEMBL472236 0.81 TGFBR1 (0.43) TGFBR1RXFP1MEN1KMT2AMLYCD
SCHEMBL10410222 0.79 TRPV1 (0.37) TRPV1TAS1R3TAS1R1TAS1R2
SCHEMBL4089048 0.78 TGFBR1 (0.47) TGFBR1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL29519156 0.77 TGFBR1 (0.50) TGFBR1RXFP1CYP2C9CYP2C19

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-3156032-A1 DENTAL CEMENT Kuraray Noritake Dental Inc. (JP) 2017-04-19 EP disclosed