SCHEMBL8735059

SCHEMBL8735059

O=[Ti].Oc1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ HKDC1 Q2TB90 1/20 0.54
▸ PTPN22 Q9Y2R2 1/20 0.48
▸ MCL1 Q07820 1/20 0.47
▸ ACMSD Q8TDX5 1/20 0.47
▸ HSP90AA1 P07900 5/20 0.47
▸ HSP90AB1 P08238 5/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ DNMT1 P26358 1/20 0.46
▸ ERN1 O75460 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ PAK1 Q13153 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44

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
SCHEMBL214870 0.94 NSD2 (0.54) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL29360295 0.94 NSD2 (0.54) NSD2OPRM1OPRD1HKDC1PTPN22
Hydrochloric Acid SCHEMBL31134043 0.92 PTPN22 (0.57) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL9060865 0.92 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL29492615 0.92 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL31410627 0.92 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL1840829 0.92 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
Hydrochloric Acid SCHEMBL29492626 0.91 NSD2 (0.51) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL5181906 0.91 NSD2 (0.51) NSD2OPRM1OPRD1HKDC1PTPN22
Phosphoric Acid SCHEMBL3922368 0.89 NSD2 (0.51) NSD2OPRM1OPRD1HKDC1PTPN22

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-0614871-B1 Process for producing optically active beta-hydroxyketone TAKASAGO PERFUMERY CO LTD (JP) 1998-06-10 — — EP disclosed
US-5434289-A Process for producing optically active β-hydroxyketone TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-07-18 — — US disclosed
EP-0614871-A1 Process for producing optically active beta-hydroxyketone Takasago International Corporation (JP) 1994-09-14 — — EP disclosed
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