SCHEMBL28087381

SCHEMBL28087381

CC(C)CCN(CCC(C)C)CCC(C)C.CCCCCN

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
EPHX1 P07099 1/20 0.50
PLA2G1B P04054 1/20 0.44
PLA2G2A P14555 1/20 0.44
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.32

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
SCHEMBL13955117 0.85 PLA2G1B (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9785896 0.84 PLA2G1B (0.43) DNM1ALDH1A1TSHRPLA2G1BPLA2G2A
SCHEMBL8938916 0.84 PLA2G1B (0.43) DNM1ALDH1A1TSHRPLA2G1BPLA2G2A
Isoamylamine SCHEMBL9319600 0.84 DNM1 (0.63) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL26673160 0.82 PLA2G1B (0.47) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL7160653 0.82 PLA2G1B (0.47) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL6419712 0.82 PLA2G1B (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL20445604 0.81 PLA2G1B (0.40) DNM1ALDH1A1PLA2G1BPLA2G2AOPRM1
SCHEMBL11318760 0.81 PLA2G1B (0.40) DNM1ALDH1A1PLA2G1BPLA2G2AOPRM1
SCHEMBL13007893 0.80 LCK (0.34) ALDH1A1PLA2G1BPLA2G2AOPRM1

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
CN-103930390-B (E) manufacture method of-1-chloro-3,3,3-trifluoro propene 中央硝子株式会社 2016-08-24 CN disclosed