SCHEMBL7924959

SCHEMBL7924959

O=C(O[Ti]1(OC(=O)c2ccc(F)cc2)C2c3ccccc3-c3cccc(c32)CCc2cccc3c2C1c1ccccc1-3)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MAPK14 Q16539 1/20 0.38
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7927569 0.93 MAPT (0.40) MAPTCASP3SENP8SENP7SENP6
SCHEMBL7928586 0.90 HTT (0.39) KMT2AMEN1OPRM1MAPK14DHODH
SCHEMBL7924685 0.83 SRD5A2 (0.35) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL7919524 0.83 SLC6A4 (0.33) MAPTCASP3SENP8SENP7SENP6
SCHEMBL7925574 0.80 POLB (0.42) MAPTKMT2AMEN1ALDH1A1TAS1R3
SCHEMBL7927339 0.78 KMT2A (0.37) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL7925878 0.78 MEN1 (0.35) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7919279 0.77 ALDH1A1 (0.34) KMT2AALDH1A1LMNAHTTTAS1R3
SCHEMBL7927183 0.77 DRD1 (0.37) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7930914 0.77 ACHE (0.31) MAPTHTTTAS1R3TAS1R1TAS1R2

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-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed