SCHEMBL7420663

SCHEMBL7420663

COC(=O)c1cc(Cl)cc2c1OC1(CCCCC1)C2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SERPINH1 P50454 1/20 0.36
ABL1 P00519 1/20 0.35
PDK2 Q15119 1/20 0.35
OPRK1 P41145 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL7408562 0.83 KDM4E (0.37) KDM4EALDH1A1HTTATM
SCHEMBL12035513 0.82 PKM (0.47) ALDH1A1
SCHEMBL2465219 0.82 AKR1C4 (0.38) KDM4EALDH1A1HTTATM
SCHEMBL7419268 0.78 ALDH1A1 (0.45) KDM4EALDH1A1
SCHEMBL671175 0.77 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1SERPINH1
SCHEMBL7416197 0.76 HTR3A (0.35)
SCHEMBL7417950 0.73 HTR3A (0.48) MEN1KMT2A
SCHEMBL16742340 0.72 PKM (0.37) KDM4EALDH1A1PDK2HTT
SCHEMBL8366432 0.71 HTR3A (0.43) MEN1KMT2AKDM4EALDH1A1SERPINH1
SCHEMBL14818339 0.71 FFAR4 (0.42)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991016888-A1 SPIRO[BENZOFURANCYCLOALKANE]CARBOXAMIDES AS 5HT3 ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-11-14 WO disclosed