SCHEMBL6892682

SCHEMBL6892682

CCCCCCCCCCCCCCCCCC(C)NCCN

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH4 P08319 1/20 0.47
ADH7 P40394 1/20 0.47
SPHK1 Q9NYA1 1/20 0.45
OPRM1 P35372 1/20 0.43
DNM1 Q05193 8/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
RRM1 P23921 1/20 0.40

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
SCHEMBL6888361 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28160594 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27177109 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
Bromide SCHEMBL344779 0.98 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7558477 0.91 ADRB2 (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11138246 0.90 DNM1 (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11552759 0.90 DNM1 (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11557085 0.90 DNM1 (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20393388 0.90 DNM1 (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11551363 0.90 DNM1 (0.46) ADH1BADH1CADH1AADH4ADH7

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
EP-0886551-B1 STABILITY CONTROL AGENT COMPOSITION FOR POLYOLEFIN FOAM KNAUS DENNIS A (US) 2004-08-04 EP claimed