SCHEMBL11660752

SCHEMBL11660752

CCCCC(CC)CCCCCCCCCCCCCN

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TDP1 Q9NUW8 1/20 0.62
CYP3A4 P08684 2/20 0.57
DNM1 Q05193 8/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
EPHX1 P07099 1/20 0.55
CA2 P00918 2/20 0.45
LMNA P02545 1/20 0.44
OPRM1 P35372 1/20 0.42

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
SCHEMBL11663279 1.00 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4DNM1TSHR
SCHEMBL11663399 1.00 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4DNM1TSHR
SCHEMBL23640519 1.00 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4DNM1TSHR
SCHEMBL516415 0.98 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4DNM1TSHR
SCHEMBL117248 0.95 DNM1 (0.62) ALDH1A1TDP1CYP3A4DNM1TSHR
SCHEMBL1164856 0.95 DNM1 (0.62) ALDH1A1TDP1CYP3A4DNM1TSHR
SCHEMBL23560995 0.95 DNM1 (0.62) ALDH1A1TDP1CYP3A4DNM1TSHR
SCHEMBL16390156 0.95 DNM1 (0.62) ALDH1A1TDP1CYP3A4DNM1TSHR
SCHEMBL23093974 0.93 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4DNM1TSHR
SCHEMBL23093971 0.93 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4DNM1TSHR

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-4098705-A ADDITIVE FOR LUBRICANTS ASAHI DENKA KOGYO K.K. (JP) 1978-07-04 US disclosed