SCHEMBL11291981

SCHEMBL11291981

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.40
POLB P06746 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PARP10 Q53GL7 1/20 0.33
KMT2A Q03164 4/20 0.32
AKR1C3 P42330 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
TSPO P30536 1/20 0.31
ATM Q13315 1/20 0.31
TOP2A P11388 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
SCHEMBL11291983 0.83 ALOX15 (0.37) ALOX15POLBNR1H4L3MBTL1KMT2A
SCHEMBL11288199 0.80 ALOX15 (0.44) ALOX15POLBL3MBTL1KMT2AAKR1C3
Hydrochloric Acid SCHEMBL11287384 0.79 L3MBTL1 (0.52) L3MBTL1KMT2ATDP1ATM
SCHEMBL11283315 0.79 ALOX15 (0.36) ALOX15KMT2ATOP2A
Alcohol SCHEMBL11286751 0.77 ALOX15 (0.36) ALOX15POLB
SCHEMBL11288958 0.77 ALOX15 (0.42) ALOX15L3MBTL1KMT2ATDP1ATM
SCHEMBL11290492 0.77 ALOX15 (0.55) ALOX15KMT2AAKR1C3TOP2A
SCHEMBL11277015 0.77 ALOX15 (0.55) ALOX15KMT2AAKR1C3TOP2A
SCHEMBL11290043 0.77 ALOX15 (0.55) ALOX15KMT2AAKR1C3TOP2A
SCHEMBL11283358 0.77 ALOX15 (0.55) ALOX15KMT2AAKR1C3TOP2A

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