SCHEMBL7829341

SCHEMBL7829341

Cl[Ti]Cl.Oc1c(-c2ccc3ccccc3c2O)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.56
LDHA P00338 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PAX8 Q06710 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
HPRT1 P00492 1/20 0.42
POLB P06746 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
SCHEMBL374807 0.91 PTPN22 (0.65) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL29401627 0.91 PTPN22 (0.65) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL1840828 0.89 PTPN22 (0.62) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL5155985 0.89 PTPN22 (0.62) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL9060860 0.89 PTPN22 (0.62) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL9510182 0.87 PTPN22 (0.56) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL6634384 0.84 PTPN22 (0.58) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL8735056 0.84 PTPN22 (0.58) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
Sulfur Dioxide SCHEMBL20526198 0.83 PTPN22 (0.56) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL4443508 0.83 PTPN22 (0.56) PTPN22LDHAHSD17B10ALDH1A1CYP2A6

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
EP-0676404-B1 Oxotitanium complexes useful as asymmetric reaction catalysts particularly for producing beta-hydroxy ketones or alpha-hydroxy carboxylic acid esters TAKASAGO PERFUMERY CO LTD (JP) 2001-02-14 EP disclosed
EP-0614871-B1 Process for producing optically active beta-hydroxyketone TAKASAGO PERFUMERY CO LTD (JP) 1998-06-10 EP disclosed
US-5714624-A STABLE CATALYST FOR PRODUCTS WITH EXCELLENT OPTICAL ACTIVITY TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-02-03 US disclosed
US-5705678-A Oxotitanium complex, asymmetric hydrogenation catalyst comprising the complex, and process for producing β-hydroxy ketone or α-hydroxy carboxylic acid ester using the complex TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-01-06 US disclosed
US-5616751-A Oxotitanium complex, asymmetric hydrogenation catalyst comprising the complex, and process for producing β-hydroxy ketone or α-hydroxy carboxylic acid ester using the complex TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-04-01 US disclosed
EP-0676404-A2 Oxotitanium complexes useful as asymmetric reaction catalysts particularly for producing beta-hydroxy ketones or alpha-hydroxy carboxylic acid esters Takasago International Corporation (JP) 1995-10-11 EP disclosed
US-5434289-A Process for producing optically active β-hydroxyketone TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-07-18 US disclosed
EP-0494771-B1 Process for producing optically active dihydropyran derivatives TAKASAGO PERFUMERY CO LTD (JP) 1995-04-05 EP disclosed
EP-0614871-A1 Process for producing optically active beta-hydroxyketone Takasago International Corporation (JP) 1994-09-14 EP disclosed
EP-0353053-B1 Catalytic process for producing optically active alpha-hydroxycarboxylates TAKASAGO PERFUMERY CO LTD (JP) 1993-10-20 EP disclosed
US-5155240-A Process for producing optically active dihydropyran derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-10-13 US disclosed
EP-0494771-A1 Process for producing optically active dihydropyran derivatives Takasago International Corporation (JP) 1992-07-15 EP disclosed
US-4965398-A Process for producing optically active alpha-hydroxycarboxylates TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-10-23 US disclosed
EP-0353053-A2 Catalytic process for producing optically active alpha-hydroxycarboxylates Takasago International Corporation (JP) 1990-01-31 EP disclosed