SCHEMBL28825558

SCHEMBL28825558

Cc1cc(-c2cc(C)n(C)n2)ccc1OCc1ccccc1Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.44
PTGER1 P34995 6/20 0.38
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL28016439 0.91 MRGPRX4 (0.42) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL28016512 0.90 MRGPRX4 (0.41) MRGPRX4PTGER1
SCHEMBL28020690 0.85 MRGPRX4 (0.38) MRGPRX4PTGER1
SCHEMBL28048625 0.85 MRGPRX4 (0.42) MRGPRX4PTGER1
SCHEMBL28016505 0.83 MRGPRX4 (0.42) MRGPRX4PTGER1
SCHEMBL28048621 0.82 MRGPRX4 (0.41) MRGPRX4PTGER1CYP2C9HIF1AS1PR1
SCHEMBL28048667 0.81 MRGPRX4 (0.40) MRGPRX4PTGER1S1PR1S1PR5
SCHEMBL28048671 0.80 MRGPRX4 (0.46) MRGPRX4CYP2C9HIF1ARXRARXRB
SCHEMBL28016498 0.77 MRGPRX4 (0.41) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL28024479 0.75 HIF1A (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