SCHEMBL7413765

SCHEMBL7413765

O=C(O)c1cccc2c1OC1(CCCCC1)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.42
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
ALOX15 P16050 1/20 0.35
CXCR5 P32302 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
SCHEMBL7419268 0.82 ALDH1A1 (0.45) FFAR4PKMLMNANPSR1ALDH1A1
SCHEMBL783714 0.78 LMNA (0.59) PKMLMNANPSR1ALDH1A1KDM4E
SCHEMBL3351014 0.78 LMNA (0.40) PKMLMNANPSR1ALDH1A1KDM4E
SCHEMBL7408562 0.76 KDM4E (0.37) FFAR4ALDH1A1KDM4EHTTATM
SCHEMBL2548565 0.75 LMNA (0.44) PKMLMNANPSR1ALDH1A1KDM4E
SCHEMBL7415923 0.75 KDM4E (0.36) FFAR4PKMLMNAALDH1A1KDM4E
SCHEMBL2465485 0.74 PARP1 (0.38) FFAR4ALDH1A1KDM4EHTTATM
SCHEMBL2465219 0.74 AKR1C4 (0.38) FFAR4ALDH1A1KDM4EHTTATM
SCHEMBL7332583 0.73 LMNA (0.42) PKMLMNANPSR1ALDH1A1KDM4E
SCHEMBL672668 0.72 LMNA (0.44) PKMLMNANPSR1ALDH1A1KDM4E

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