SCHEMBL11291983

SCHEMBL11291983

CC(C)Oc1ccc(CC(=O)Oc2cc(C(=O)CNC(C)(C)C)ccc2OC(=O)CCCCCC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 5/20 0.32
TOP2A P11388 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CNR2 P34972 1/20 0.31
AKR1C3 P42330 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 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
SCHEMBL11291986 0.87 TOP1 (0.36) ALOX15KMT2ATOP2ANPC1RAB9A
SCHEMBL11291981 0.83 ALOX15 (0.40) ALOX15NR1H4POLBL3MBTL1KMT2A
SCHEMBL11286759 0.81 LMNA (0.38) ALOX15KMT2AKDM4EALDH1A1
SCHEMBL11286755 0.80 ALOX15 (0.34) ALOX15POLBL3MBTL1KMT2ACNR2
SCHEMBL11286752 0.80 ALOX15 (0.34) ALOX15POLBL3MBTL1KMT2ACNR2
Hydrochloric Acid SCHEMBL11287387 0.79 L3MBTL1 (0.51) ALOX15L3MBTL1KMT2ANPC1ALDH1A1
SCHEMBL11283335 0.79 TOP2A (0.36) ALOX15NR1H4KMT2ATOP2ACNR2
SCHEMBL11286258 0.78 ALOX15 (0.41) ALOX15POLBKMT2ATOP2ANPC1
SCHEMBL11290055 0.78 ALOX15 (0.51) ALOX15KMT2ATOP2ANPC1RAB9A
SCHEMBL11277018 0.78 ALOX15 (0.51) ALOX15KMT2ATOP2ANPC1RAB9A

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