SCHEMBL28048671

SCHEMBL28048671

CC(=O)c1ccc(OCc2ccccc2Cc2ccc(C(=O)O)cc2C(=O)O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.46
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MAOB P27338 1/20 0.43
CREBBP Q92793 1/20 0.43
FOLH1 Q04609 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SYK P43405 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 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
SCHEMBL28821202 0.88 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGCREBBP
SCHEMBL28024479 0.88 HIF1A (0.43) MRGPRX4CYP2C9HIF1ARXRARXRB
SCHEMBL27877447 0.83 MRGPRX4 (0.59) MRGPRX4RXRARXRBRXRGFOLH1
SCHEMBL28024050 0.80 MRGPRX4 (0.46) MRGPRX4CYP2C9HIF1ARXRARXRB
SCHEMBL28825558 0.80 MRGPRX4 (0.44) MRGPRX4CYP2C9HIF1ARXRARXRB
SCHEMBL28049551 0.79 NR4A2 (0.50) MRGPRX4MAOBALDH1A1RXFP1
SCHEMBL28024517 0.79 MRGPRX4 (0.38) MRGPRX4CYP2C9HIF1ARXRARXRB
SCHEMBL28024548 0.78 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRG
SCHEMBL28024063 0.78 MRGPRX4 (0.43) MRGPRX4CYP2C9HIF1ARXRARXRB
SCHEMBL28954513 0.78 CYP2C9 (0.43) MRGPRX4CYP2C9HIF1ARXRARXRB

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
CN-105263921-A Tetrazolinone compound and application of same SUMITOMO CHEMICAL CO 2016-01-20 CN disclosed