SCHEMBL11423116

SCHEMBL11423116

O=C(O)c1ccc(Oc2ccccc2C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.50
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
ASPH Q12797 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
KMO O15229 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL11423110 0.88 KMT2A (0.50) LPAR1LPAR5
SCHEMBL11420524 0.78 P4HTM (0.54) P4HTMLPAR1LPAR5
SCHEMBL5755276 0.77 P4HTM (0.63) P4HTM
SCHEMBL30440468 0.77 LIPE (0.50) P4HTMASPH
SCHEMBL16539505 0.77 LTA4H (0.46)
SCHEMBL11410233 0.77 LIPE (0.50) P4HTMASPH
SCHEMBL11521654 0.75 LTA4H (0.58) RXRARXRBRXRGLPAR1LPAR5
SCHEMBL753336 0.74 P4HTM (0.53) P4HTM
SCHEMBL11412080 0.74 CDK8 (0.55) MRGPRX4KMOPPARG
SCHEMBL12071339 0.73 LYN (0.48) RXRARXRBRXRGLPAR1LPAR5

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
US-4229448-A 5-Substituted picolinic acid derivatives and an anti-hypertensive composition containing the same MEUJI SEIKA KAISHA LTD. (JP) 1980-10-21 US disclosed