SCHEMBL4562595

SCHEMBL4562595

COc1ccc2[nH]c(C)c(C(C(=O)O)C(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 2/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47
▸ PDGFRB P09619 2/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ PIKFYVE Q9Y2I7 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5305951 0.89 AKR1C2 (0.49) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL8796396 0.86 TRPV1 (0.46) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL11021014 0.83 TRPV1 (0.46) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL8594951 0.79 TRPV1 (0.42) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL8978361 0.79 TRPV1 (0.42) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL8978296 0.78 PDGFRB (0.42) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL8669584 0.78 AKR1C2 (0.44) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL25260242 0.77 ALDH1A1 (0.58) AKR1C2PDGFRBFGFR1KDRALDH1A1
SCHEMBL10637946 0.77 PIKFYVE (0.42) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL5270294 0.77 AKR1C2 (0.58) AKR1C2TRPV1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722434-A1 NITRIC ESTERS HAVING ANTI-INFLAMMATORY AND/OR ANALGESIC ACTIVITY AND PROCESS FOR THEIR PREPARATION NICOX S.A. (FR) 1996-07-24 — — EP claimed
EP-0006223-A1 Crystalline sodium and potassium indomethacin and their trihydrates, process for preparing and pharmaceutical compositions containing the same MERCK & CO. INC. (US) 1980-01-09 — — EP claimed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO disclosed
EP-1131326-A4 PHOSPHOLIPID DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS DPHARM LTD (IL) 2002-03-27 — — EP disclosed
EP-1131326-A1 PHOSPHOLIPID DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS D-Pharm Limited (IL) 2001-09-12 — — EP disclosed
WO-2000031083-A1 PHOSPHOLIPID DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS D-PHARM LIMITED (IL) 2000-06-02 — — WO disclosed
EP-0723442-A4 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS INC (US) 1997-06-11 — — EP disclosed
EP-0723442-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-07-31 — — EP disclosed
EP-0722434-A1 NITRIC ESTERS HAVING ANTI-INFLAMMATORY AND/OR ANALGESIC ACTIVITY AND PROCESS FOR THEIR PREPARATION NICOX S.A. (FR) 1996-07-24 — — EP disclosed
WO-1996003987-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-02-15 — — WO disclosed
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