SCHEMBL9837897

SCHEMBL9837897

CCC(=O)OC(c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSPA5 P11021 5/20 0.37
HSPA2 P54652 2/20 0.37
HSPA9 P38646 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9839266 0.91 HTT (0.39) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL9838903 0.89 RAB9A (0.40) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL9602628 0.87 RAB9A (0.39) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL9605284 0.87 RAB9A (0.39) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL9837900 0.86 HSPA5 (0.43) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL11620300 0.85 HTT (0.44) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL9839145 0.85 NPC1 (0.40) RAB9ANPC1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL10663011 0.85 HSPA5 (0.42) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL10664664 0.85 HTT (0.42) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL10659235 0.84 HTT (0.43) RAB9ANPC1HPGDSMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988708-A 3-Carbamoyl-4-hydroxy-2-carboxylmethyl quinoline analgesics, antiinflammatory agents ROUSSEL UCLAF (FR) 1991-01-29 US disclosed
US-4845105-A 4-OH-quinoline carboxylic acid amides having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1989-07-04 US disclosed
US-4735951-A Novel 4-hydroxy-3-quinoline-carboxylates having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1988-04-05 US disclosed