SCHEMBL10855431

SCHEMBL10855431

OCCCNCc1cccc(CNCCCO)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
CHRM2 P08172 3/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAOA P21397 1/20 0.52
CXCR4 P61073 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
SIGMAR1 Q99720 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
MPO P05164 1/20 0.46

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
SCHEMBL10859843 0.87 PDCD1 (0.53) CHRM2MEN1KMT2AMAOACXCR4
Water SCHEMBL27599004 0.86 KDM4E (0.49) KDM4EPOLBCHRM2MEN1KMT2A
Water SCHEMBL27599005 0.86 KDM4E (0.49) KDM4EPOLBCHRM2MEN1KMT2A
SCHEMBL304695 0.85 MAOA (0.72) CHRM2MEN1KMT2AMAOASIGMAR1
SCHEMBL3977586 0.84 ENPP2 (0.56) KDM4EPOLBCHRM2MEN1KMT2A
Hydrochloric Acid SCHEMBL1848160 0.83 MAOA (0.69) CHRM2MEN1KMT2AMAOASIGMAR1
SCHEMBL13391003 0.83 CHRM2 (0.77) KDM4EPOLBCHRM2MEN1KMT2A
SCHEMBL27645675 0.83 UNG (0.61) MEN1KMT2A
SCHEMBL27273734 0.82 CHRM2 (0.51) KDM4EPOLBCHRM2MEN1KMT2A
SCHEMBL23120161 0.82 KDM4E (0.57) KDM4EPOLBCHRM2MEN1KMT2A

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-4590288-A REVERSIBLE ABSORPTION OF CARBON MONOXIDE EXXON RESEARCH AND ENGINEERING CO. (US) 1986-05-20 US disclosed