SCHEMBL11286258

SCHEMBL11286258

CC(C)NCC(=O)c1ccc(OC(=O)CCCCCC(C)(C)C)c(OC(=O)CCCCCC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.41
TOP2A P11388 2/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
HPGD P15428 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 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
SCHEMBL11282410 0.87 ALOX15 (0.55) ALOX15TOP2AKMT2ARAB9ANPC1
SCHEMBL11281184 0.87 ALOX15 (0.55) ALOX15TOP2AKMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL11636402 0.85 ALOX15 (0.55) ALOX15TOP2AKMT2AMEN1RAB9A
SCHEMBL11631275 0.79 ALDH1A1 (0.49) ALDH1A1RAB9AKDM4EGAATSHR
SCHEMBL11281656 0.79 ALOX15 (0.51) ALOX15KMT2AMEN1ALDH1A1RAB9A
SCHEMBL11283335 0.79 TOP2A (0.36) ALOX15TOP2AKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL11633271 0.78 ADRB2 (0.50) ALDH1A1RAB9AKDM4EGAATSHR
SCHEMBL11289720 0.78 ALOX15 (0.47) ALOX15TOP2A
SCHEMBL11288199 0.78 ALOX15 (0.44) ALOX15TOP2AKMT2AMEN1ALDH1A1
SCHEMBL11291983 0.78 ALOX15 (0.37) ALOX15TOP2AKMT2AALDH1A1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed