SCHEMBL11216596

SCHEMBL11216596

CC1(C)OCCC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.48
MAOA P21397 18/20 0.48
MAOB P27338 18/20 0.48
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL28428139 0.89 KDM1A (0.46) KDM1AMAOAMAOB
SCHEMBL27615490 0.79 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL25959408 0.78 KDM1A (0.43) KDM1AMAOAMAOBCHRM2CHRM4
SCHEMBL29002923 0.78 KDM1A (0.46) KDM1AMAOAMAOBCHRM2CHRM4
SCHEMBL27517581 0.76 KDM1A (0.40) KDM1AMAOAMAOBCHRM2CHRM4
SCHEMBL28862605 0.76 GAA (0.37)
SCHEMBL9100498 0.74 CHRM2 (0.50) KDM1AMAOAMAOBCHRM2CHRM4
SCHEMBL28438231 0.73 KDM1A (0.46) KDM1AMAOAMAOB
SCHEMBL10798707 0.69 TSHR (0.42) KDM1AMAOAMAOBCHRM2CHRM4
SCHEMBL10748346 0.69 KDM1A (0.46) KDM1AMAOAMAOB

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
US-4404127-A SOAPS; CLEANING COMPOUNDS; COSMETICS; DETERGENTS; OXIDATION RESISTANCE NAARDEN INTERNATIONAL N.V. (NL) 1983-09-13 US disclosed