SCHEMBL8364939

SCHEMBL8364939

Cc1cc(-c2c(C)c(C(=O)O)nn2Cc2ccc(Cl)c(Cl)c2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CYP2C9 P11712 1/20 0.45
PPARG P37231 1/20 0.45
KMO O15229 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
GAA P10253 2/20 0.41
CCR2 P41597 2/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
TP53 P04637 3/20 0.40
MCL1 Q07820 1/20 0.39
ABCB11 O95342 1/20 0.39
HTT P42858 4/20 0.39
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
Hydrochloric Acid SCHEMBL8364818 0.99 CNR1 (0.50) CNR1CYP2C9PPARGKMOSMN1; SMN2
SCHEMBL8369769 0.92 CNR1 (0.58) CNR1CYP2C9SMN1; SMN2GRIN1GRIN2B
SCHEMBL8364816 0.91 CNR1 (0.53) CNR1CYP2C9PPARGSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL8364838 0.91 CNR1 (0.57) CNR1CYP2C9SMN1; SMN2GRIN1GRIN2B
SCHEMBL8368098 0.90 CNR1 (0.50) CNR1CYP2C9PPARGSMN1; SMN2GAA
SCHEMBL8369103 0.90 GCGR (0.48) CNR1CYP2C9PPARGKMOSMN1; SMN2
Hydrochloric Acid SCHEMBL8366437 0.89 GCGR (0.47) CNR1CYP2C9PPARGKMOSMN1; SMN2
SCHEMBL8366630 0.87 CNR1 (0.48) CNR1SMN1; SMN2GAATP53HTT
SCHEMBL8368084 0.84 CCR2 (0.47) CNR1SMN1; SMN2CCR2MCL1LMNA
Hydrochloric Acid SCHEMBL8369839 0.83 CCR2 (0.47) CNR1SMN1; SMN2CCR2MCL1LMNA

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-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 US disclosed