SCHEMBL7928302

SCHEMBL7928302

CC1C2=C(CCCC2)C2=C1C([Ti+2]OC(=O)c1ccc(F)cc1)CCC2.C[O-].C[O-]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
METAP2 P50579 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
Hydrochloric Acid SCHEMBL7925867 0.97 KMT2A (0.35) MEN1KMT2AKDM4EMAPTCASP3
SCHEMBL7928350 0.89 LMNA (0.33) MEN1KMT2AMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL7924563 0.85 LMNA (0.34) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7919162 0.82
SCHEMBL7924740 0.82 KDM4E (0.37) MEN1KMT2AKDM4EMAPTCASP3
SCHEMBL7924742 0.81 MEN1 (0.37) MEN1KMT2AKDM4EMAPTCASP3
SCHEMBL7919475 0.81 MEN1 (0.34) MEN1KMT2AKDM4E
SCHEMBL7931066 0.79
Hydrochloric Acid SCHEMBL7930894 0.78
SCHEMBL7925546 0.78

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