SCHEMBL11468664

SCHEMBL11468664

O=C(O)Cc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
AKR1C3 P42330 1/20 0.59
AKR1C2 P52895 1/20 0.59
GRIN2D O15399 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
NR1H4 Q96RI1 3/20 0.53
TBXAS1 P24557 1/20 0.51
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AKR1B1 P15121 1/20 0.50
RGS12 O14924 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL756841 0.88 PTGS1 (0.71) PTGS1AKR1C3AKR1C2NR1H4KDM4E
SCHEMBL28150711 0.85 GRIN2D (0.56) PTGS1AKR1C3AKR1C2GRIN2DGRIN2A
SCHEMBL11462163 0.85 PTGS1 (0.60) PTGS1AKR1C3AKR1C2GRIN2DGRIN2A
SCHEMBL12267750 0.84 GRIN2D (0.58) GRIN2DGRIN2AGRIN2BGRIN2CNR1H4
Hydrochloric Acid SCHEMBL9400435 0.84 PTGS1 (0.58) PTGS1AKR1C3AKR1C2GRIN2DGRIN2A
SCHEMBL6551318 0.82 GRIN2D (0.57) GRIN2DGRIN2AGRIN2BGRIN2CNR1H4
SCHEMBL31428506 0.82 GRIN2D (0.57) GRIN2DGRIN2AGRIN2BGRIN2CNR1H4
SCHEMBL4206339 0.81 GRIN2D (0.60) GRIN2DGRIN2AGRIN2BGRIN2CTBXAS1
SCHEMBL21617912 0.81 PTGS1 (0.63) PTGS1AKR1C3AKR1C2NR1H4KDM4E
SCHEMBL11459316 0.81 PTGS1 (0.64) PTGS1AKR1C3AKR1C2NR1H4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1007063-B COPOLYESTER VENO FINE CHEMICAL IND LTD (JP) 1990-03-07 CN disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed