SCHEMBL9628642

SCHEMBL9628642

OCc1cc(C2CCOC2)no1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
RAB9A P51151 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
NPC1 O15118 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
SCHEMBL9629430 0.91 NOTUM (0.37) NOTUMGABRA1GABRB1GABRA2GABRB2
SCHEMBL3860896 0.84 NOTUM (0.39) NOTUMPRMT5WDR77
SCHEMBL9629417 0.83 NOTUM (0.46) NOTUMGABRA1GABRB1GABRA2GABRB2
SCHEMBL9629655 0.80 NOTUM (0.43) NOTUMGABRA1GABRB1GABRA2GABRB2
SCHEMBL9629513 0.80 NOTUM (0.43) NOTUMGABRA1GABRB1GABRA2GABRB2
SCHEMBL9628686 0.78 NOTUM (0.42) NOTUMGABRA1GABRB1GABRA2GABRB2
SCHEMBL3588518 0.75 CNR2 (0.30) PRMT5WDR77
SCHEMBL3588521 0.75 PIK3C3 (0.38) RAB9ANPC1
SCHEMBL13391811 0.75 PRMT5 (0.35) PRMT5WDR77
SCHEMBL4009734 0.73 NOTUM (0.41) NOTUMPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316783-B1 PROCESS FOR THE PREPARATION OF HETERO-AROMATIC KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed
EP-0316783-A1 Process for the preparation of hetero-aromatic ketones and aldehydes BASF Aktiengesellschaft (DE) 1989-05-24 EP disclosed