SCHEMBL8050175

SCHEMBL8050175

C[C@@H]1CCCC(C)(C)[C@H]1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
UGT2B7 P16662 7/20 0.37
USP2 O75604 1/20 0.35
CDC25A P30304 2/20 0.33
PTPN1 P18031 2/20 0.33
DUSP3 P51452 1/20 0.33
FFAR3 O14843 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX1 P07099 1/20 0.31
PTPN2 P17706 1/20 0.30
PNLIP P16233 1/20 0.30

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
SCHEMBL8050172 1.00 CYP1A2 (0.40) CYP1A2UGT2B7USP2CDC25APTPN1
SCHEMBL8050170 1.00 CYP1A2 (0.40) CYP1A2UGT2B7USP2CDC25APTPN1
SCHEMBL20547796 0.83 UGT2B7 (0.31) UGT2B7
SCHEMBL5356532 0.82 PTPN1 (0.32) CYP1A2UGT2B7CDC25APTPN1DUSP3
SCHEMBL2707186 0.82 UGT2B7 (0.51) CYP1A2UGT2B7USP2CDC25APTPN1
Bicarbonate SCHEMBL28583041 0.81 CYP1A2 (0.36) CYP1A2UGT2B7CDC25APTPN1DUSP3
SCHEMBL2706121 0.80 UGT2B7 (0.53) CYP1A2UGT2B7CDC25ACYP2C9
SCHEMBL6767803 0.78 UGT2B7 (0.39) CYP1A2UGT2B7CYP2D6CYP2C9CYP2C19
SCHEMBL18808171 0.77 PTPN1 (0.51) UGT2B7CDC25APTPN1DUSP3CYP2C9
SCHEMBL15874347 0.77 PTPN1 (0.51) UGT2B7CDC25APTPN1DUSP3CYP2C9

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
US-6159379-A Organic ammonium salts for the removal of water soluble organics in produced water BAKER HUGHES INCORPORATED (US) 2000-12-12 US disclosed
US-5868945-A DEGRADATION OF CERTAIN WATER SOLUBLE PETROLEUM ORGANICS FROM PRODUCED WATER BY TREATMENT WITH OZONE TEXACO INC (US) 1999-02-09 US disclosed
US-5853592-A Method of removing water soluble organics from oil process water with an organic acid and a mineral acid having a plurality of pKa's BAKER HUGHES INCORPORATED (US) 1998-12-29 US disclosed
EP-0590769-B1 Method for removal of water soluble organics from oil process water BAKER HUGHES INC (US) 1998-04-29 EP disclosed
US-5637223-A ACIDIFYING FLUID WITH COMBINATION OF ORGANIC ACID AND MINERAL ACID, CONTACTING ACIDIFIED WATER WITH OIL, SEPARATING OIL AND WATER PETROLITE CORPORATION (US) 1997-06-10 US disclosed
EP-0586107-B1 Method of removing water soluble organics from oil process water PETROLITE CORP (US) 1996-04-10 EP disclosed
US-5439592-A Acidification; water-wet ultrafiltration; reverse osmosis PETROLITE CORPORATION (US) 1995-08-08 US disclosed
US-5364532-A Treating with organic acid and phosphoric acid, reducing water pollution PETROLITE CORPORATION (US) 1994-11-15 US disclosed
EP-0590769-A1 Method for removal of water soluble organics from oil process water PETROLITE CORPORATION (US) 1994-04-06 EP disclosed
EP-0586107-A1 Method of removing water soluble organics from oil process water PETROLITE CORPORATION (US) 1994-03-09 EP disclosed
US-4818410-A Method of removing water soluble organics from oil process water PETROLITE CORPORATION (US) 1989-04-04 US disclosed