SCHEMBL8366394

SCHEMBL8366394

CSc1ccc(-c2cc(C(=O)O)nn2Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 8/20 0.60
SLC16A3 O15427 2/20 0.56
SLC16A1 P53985 2/20 0.56
MCTS1 Q9ULC4 2/20 0.56
PTGER1 P34995 4/20 0.50
RPA1 P27694 1/20 0.49
NPC1 O15118 1/20 0.48
MALT1 Q9UDY8 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8364830 0.90 MARS1 (0.69) MARS1SLC16A3SLC16A1MCTS1PTGER1
Hydrochloric Acid SCHEMBL8368102 0.89 MARS1 (0.67) MARS1SLC16A3SLC16A1MCTS1PTGER1
SCHEMBL8364692 0.89 SLC16A3 (0.53) MARS1SLC16A3SLC16A1MCTS1PTGER1
SCHEMBL8366696 0.88 MARS1 (0.64) MARS1SLC16A3SLC16A1MCTS1PTGER1
SCHEMBL8368131 0.83 MARS1 (0.58) MARS1SLC16A3SLC16A1MCTS1PTGER1
SCHEMBL8369104 0.83 MARS1 (0.64) MARS1SLC16A3SLC16A1MCTS1PTGER1
SCHEMBL8368101 0.80 SLC16A3 (0.60) MARS1SLC16A3SLC16A1MCTS1RPA1
SCHEMBL8366446 0.79 MARS1 (0.69) MARS1SLC16A3SLC16A1MCTS1RPA1
SCHEMBL8369870 0.79 SLC16A3 (0.62) MARS1SLC16A3SLC16A1MCTS1NPC1
SCHEMBL17727586 0.76 NPC1 (0.69) MARS1PTGER1NPC1CYP1A2CYP3A4

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