SCHEMBL9753670

SCHEMBL9753670

CC(C)c1c(C=CC(O)CC(=O)CC(=O)O)c(-c2ccc(F)cc2Cl)nn2cccc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 8/20 0.34
P2RX7 Q99572 1/20 0.34
CYP2C9 P11712 3/20 0.33
SIRT6 Q8N6T7 2/20 0.33
ABCC3 O15438 1/20 0.33
ABCB11 O95342 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
RXRA P19793 1/20 0.33
TBXA2R P21731 1/20 0.33
CCKAR P32238 1/20 0.33
ADRA1A P35348 1/20 0.33
PTGS2 P35354 1/20 0.33
NR4A2 P43354 1/20 0.33
PDE4D Q08499 1/20 0.33
SLC10A1 Q14973 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL9753663 1.00 HMGCR (0.34) HMGCRP2RX7CYP2C9SIRT6ABCC3
SCHEMBL9753022 0.93 HMGCR (0.35) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9753024 0.93 HMGCR (0.35) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9753413 0.90 HMGCR (0.44) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9753009 0.87 HMGCR (0.40) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9753010 0.87 HMGCR (0.40) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9753355 0.83 EGFR (0.38) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9753646 0.83 HMGCR (0.34) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9753639 0.83 HMGCR (0.34) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9753501 0.82 HMGCR (0.45) HMGCRCYP2C9SIRT6ABCC3ABCB11

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed