SCHEMBL21409528

SCHEMBL21409528

CC(C)(C)CC(C)(C)c1ccc(OCCOCC(C)(C)N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
CYP3A4 P08684 4/20 0.60
HIF1A Q16665 4/20 0.53
ALDH1A1 P00352 3/20 0.53
USP2 O75604 3/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
APAF1 O14727 2/20 0.53
ERBB2 P04626 2/20 0.53
TP53 P04637 2/20 0.53
FYN P06241 2/20 0.53
CHRM2 P08172 2/20 0.53
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
ADRA2A P08913 2/20 0.53
MAPT P10636 2/20 0.53
HSPD1 P10809 2/20 0.53
CHRM1 P11229 2/20 0.53
TSHR P16473 2/20 0.53
ADRA2B P18089 2/20 0.53

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
Hydrochloric Acid SCHEMBL1934508 0.98 SMN1; SMN2 (0.59) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2
SCHEMBL10605042 0.83 SMN1; SMN2 (0.62) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2
SCHEMBL15239707 0.83 CYP3A4 (0.66) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2
Hydrochloric Acid SCHEMBL2806177 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2
SCHEMBL13525055 0.81 SMN1; SMN2 (0.64) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2
SCHEMBL3255330 0.81 SMN1; SMN2 (0.64) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2
SCHEMBL22021609 0.81 SMN1; SMN2 (0.64) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2
SCHEMBL4314095 0.81 CYP3A4 (0.64) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2
SCHEMBL26132824 0.81 CYP3A4 (0.64) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2
SCHEMBL13932431 0.81 CYP3A4 (0.64) SMN1; SMN2CYP3A4HIF1AALDH1A1USP2

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
WO-2019187868-A1 TREATMENT FLUID 富士フイルム株式会社 2019-10-03 WO disclosed