SCHEMBL7924567

SCHEMBL7924567

CC1=C(C)C(C)C2=C1C([Ti](OC(=O)c1ccc(F)cc1)(OC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1)CCC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.30
CASP3 P42574 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
OPRK1 P41145 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SSTR3 P32745 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL7930636 0.89 KMT2A (0.33) KMT2AMEN1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL7925721 0.80 MEN1 (0.35) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL7924533 0.76
SCHEMBL7927806 0.76
SCHEMBL7925626 0.75
SCHEMBL7928179 0.75
SCHEMBL7925841 0.75 KCNN4 (0.36) ALDH1A1
SCHEMBL7924739 0.74
SCHEMBL7928322 0.73 MEN1 (0.33) KMT2AMEN1KDM4EMAPTCASP3
SCHEMBL7927380 0.72 MEN1 (0.34) KMT2AMEN1ALDH1A1KDM4E

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