SCHEMBL7542232

SCHEMBL7542232

O=[C]Cc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.55
ALDH1A1 P00352 4/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.50
HMGB1 P09429 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HPGD P15428 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA9 Q16790 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 2/20 0.44

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
SCHEMBL11669456 0.83 FOLH1 (0.55) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL7176149 0.82 AKR1C3 (0.52) ALDH1A1TSHRGAAMAPTAKR1C3
SCHEMBL7121210 0.82 LMNA (0.41) FOLH1ALDH1A1TSHRKDM4EHPGD
SCHEMBL2422410 0.82 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL14344103 0.82 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL576104 0.79 CA12 (0.50) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL10413876 0.78 HSD17B10 (0.54) ALDH1A1ALOX15TSHRKDM4EHPGD
SCHEMBL70392 0.78 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL30365583 0.78 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL69352 0.78 TSHR (0.68) FOLH1ALDH1A1ALOX15TSHRHMGB1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277862-B1 METABOLICALLY STABLE NON-PEPTIDE NEUROKININ (NK-2 AND NK-3) ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2001-08-21 US claimed
EP-0876347-A1 QUINOLINE DERIVATIVES Smithkline Beecham S.p.A. (IT) 1998-11-11 EP claimed
WO-1997021680-A9 QUINOLINE DERIVATIVES 1997-09-12 WO claimed
WO-1997021680-A1 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-19 WO claimed
WO-2002040023-A1 NOVEL USE SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 WO disclosed
US-6277862-B1 METABOLICALLY STABLE NON-PEPTIDE NEUROKININ (NK-2 AND NK-3) ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2001-08-21 US disclosed
EP-0876347-A1 QUINOLINE DERIVATIVES Smithkline Beecham S.p.A. (IT) 1998-11-11 EP disclosed
WO-1997021680-A9 QUINOLINE DERIVATIVES 1997-09-12 WO disclosed
WO-1997021680-A1 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-19 WO disclosed
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 US disclosed
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 US disclosed
US-4035359-A 6α, β-Substituted penicillin derivatives MERCK & CO., INC. (US) 1977-07-12 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed