SCHEMBL9510182

SCHEMBL9510182

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.56
LDHA P00338 1/20 0.47
POLB P06746 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
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

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) PTPN22LDHAPOLBHSD17B10ALDH1A1
SCHEMBL29401627 0.91 PTPN22 (0.65) PTPN22LDHAPOLBHSD17B10ALDH1A1
SCHEMBL1840828 0.89 PTPN22 (0.62) PTPN22LDHAPOLBHSD17B10ALDH1A1
SCHEMBL9060860 0.89 PTPN22 (0.62) PTPN22LDHAPOLBHSD17B10ALDH1A1
SCHEMBL5155985 0.89 PTPN22 (0.62) PTPN22LDHAPOLBHSD17B10ALDH1A1
SCHEMBL7829341 0.87 PTPN22 (0.56) PTPN22LDHAPOLBHSD17B10ALDH1A1
SCHEMBL8735056 0.84 PTPN22 (0.58) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL6634384 0.84 PTPN22 (0.58) PTPN22LDHAPOLBHSD17B10ALDH1A1
SCHEMBL18263183 0.83 POLB (0.59) PTPN22LDHAPOLBHSD17B10ALDH1A1
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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353053-B1 Catalytic process for producing optically active alpha-hydroxycarboxylates TAKASAGO PERFUMERY CO LTD (JP) 1993-10-20 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