SCHEMBL7556820

SCHEMBL7556820

NCCCc1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.58
ANPEP P15144 1/20 0.51
ENPEP Q07075 1/20 0.51
DHODH Q02127 1/20 0.51
GRM2 Q14416 1/20 0.48
GRM3 Q14832 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
MAOA P21397 1/20 0.47
UNG P13051 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL7557989 0.95 FOLH1 (0.56) FOLH1ANPEPENPEPDHODHGRM2
SCHEMBL999055 0.89 FOLH1 (0.61) FOLH1ANPEPENPEPDHODHMRGPRX4
SCHEMBL16559877 0.89 FOLH1 (0.66) FOLH1ANPEPENPEPMRGPRX4CYP2D6
Hydrochloric Acid SCHEMBL2636111 0.87 FOLH1 (0.59) FOLH1ANPEPENPEPDHODHGRM2
SCHEMBL7300545 0.86 PARP1 (0.48) FOLH1HTR6
SCHEMBL1980273 0.85 FOLH1 (0.61) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL371526 0.85 FOLH1 (0.70) FOLH1ANPEPENPEPMRGPRX4CYP2D6
SCHEMBL5473039 0.84 CYP4F2 (0.62) FOLH1ANPEPENPEPDHODHCYP2D6
SCHEMBL9175315 0.83 FOLH1 (0.54) FOLH1ANPEPENPEPMRGPRX4CYP2D6
SCHEMBL18551279 0.82 HDAC3 (0.63) FOLH1ANPEPENPEPCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN claimed
WO-2002070680-A1 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-09-12 WO claimed
EP-1226237-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-07-31 EP claimed
WO-2001016300-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2001-03-08 WO claimed
EP-0254009-B1 A PROCESS FOR PURIFYING DINITROANILINE HERBICIDES AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1991-04-17 EP claimed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN disclosed
WO-2002070680-A1 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
EP-1226237-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-07-31 EP disclosed
WO-2001027077-A2 HYDROXYSULFONYLALKYLENE-, PHOSPHONOALKYLENE- OR DIFLUORO(PHOSPHONONON)METHYL- SUBSTITUTED BENZENE, OR BENZOFURAN DERIVATIVES AS NON-PEPTIDIC CDC25 INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-04-19 WO disclosed
WO-2001016300-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2001-03-08 WO disclosed
EP-0254009-B1 A PROCESS FOR PURIFYING DINITROANILINE HERBICIDES AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1991-04-17 EP disclosed
US-4970343-A CONTACTING IN LIQUID STATE WITH HYDROBROMIDE SALT OF AMINO-BENZOIC ACID ESTER, DEHYDRATING AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1990-11-13 US disclosed
EP-0194352-A2 Salicylate assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-09-17 EP disclosed
US-4537992-A ACYLHALIDES AND AMINOBENZOATE ESTERS AGAN CHEMICAL MANUFACTURERS, LTD. (IL) 1985-08-27 US disclosed