SCHEMBL5159280

SCHEMBL5159280

CCCC(CC(=O)O)(CC(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.55
HIF1A Q16665 1/20 0.55
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
DRD2 P14416 1/20 0.41
LMNA P02545 3/20 0.41
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL31021330 0.89 CYP2C19 (0.52) CYP2C19HIF1AOPRM1DRD3DRD2
SCHEMBL12314429 0.85 CYP2C19 (0.52) CYP2C19HIF1AOPRM1DRD3DRD2
SCHEMBL28810886 0.84 CYP2C19 (0.59) CYP2C19HIF1AOPRM1DRD3DRD2
SCHEMBL1604732 0.84 CYP2C19 (0.59) CYP2C19HIF1AOPRM1DRD3DRD2
SCHEMBL8480813 0.83 CYP2C19 (0.44) CYP2C19HIF1AOPRM1DRD3DRD2
SCHEMBL10442974 0.82 CYP2C19 (0.49) CYP2C19HIF1AHTTGAACES2
SCHEMBL5972695 0.81 SMN1; SMN2 (0.47) CYP2C19HIF1ALMNASCN1ASCN2A
SCHEMBL9447623 0.81 KCNN4 (0.44) CYP2C19OPRM1DRD3DRD2LMNA
SCHEMBL1139107 0.79 CYP2C19 (0.53) CYP2C19HIF1AOPRM1DRD3DRD2
SCHEMBL1139315 0.79 CYP2C19 (0.53) CYP2C19HIF1AOPRM1DRD3DRD2

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-113179643-B Catalyst component for olefin polymerization 巴塞尔聚烯烃意大利有限公司 2024-07-05 CN disclosed
EP-1618157-B1 USE OF POLYANHYDRIDES IN ANTIFOULING PAINT AND ANTIFOULING PAINT CONTAINING POLYANHYDRIDES JOTUN AS (NO) 2007-03-14 EP disclosed
EP-1618157-A1 POLYANHYDRIDES, PROCESS FOR THE PREPARATION, USE IN ANTIFOULING PAINT AND ANTIFOULING PAINT CONTAINING POLYANHYDRIDES Jotun AS (NO) 2006-01-25 EP disclosed
WO-2004096927-A1 POLYANHYDRIDES, PROCESS FOR THE PREPARATION, USE IN ANTIFOULING PAINT AND ANTIFOULING PAINT CONTAINING POLYANHYDRIDES JOTUN AS (NO) 2004-11-11 WO disclosed
US-6780403-B1 DEODORANT INCLUDING ORGANIC DIBASIC ACID AND/OR ALKALI METAL, AMMONIUM, ZINC OR ALUMINUM SALT; ACID HAS DIFFERENCE BETWEEN FIRST AND SECOND ACID DISSOCIATION INDICES OF 1.7 OR MORE AT 25 DEGREES C. AND SECOND DISSOCIATION INDEX IS FROM 6 TO 8 KAO CORPORATION (JP) 2004-08-24 US disclosed
EP-1197204-A1 DEODORANTS Kao Corporation (JP) 2002-04-17 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed