SCHEMBL21665733

SCHEMBL21665733

CONC(C)(C)CCCO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL8617183 0.74 SMN1; SMN2 (0.38) CYP4F2CYP4A11TDP1SMN1; SMN2LMNA
SCHEMBL19696594 0.68 TDP1 (0.35) CYP4F2CYP4A11TDP1SMN1; SMN2LMNA
SCHEMBL7808732 0.67
1,4-Butanediol SCHEMBL409238 0.66
SCHEMBL3952086 0.66
SCHEMBL25319811 0.65 CYP4F2 (0.41) CYP4F2CYP4A11TDP1SMN1; SMN2ALDH1A1
SCHEMBL6843199 0.65 CYP4F2 (0.41) CYP4F2CYP4A11TDP1SMN1; SMN2LMNA
SCHEMBL454593 0.64
SCHEMBL14978154 0.64 SMN1; SMN2 (0.44) CYP4F2CYP4A11TDP1SMN1; SMN2LMNA
SCHEMBL30893155 0.64 SMN1; SMN2 (0.38) CYP4F2CYP4A11TDP1SMN1; SMN2LMNA

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-3053600-B1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-01-29 EP disclosed