SCHEMBL11284142

SCHEMBL11284142

CCCCCCCCCC(=O)Oc1cc(C(=O)C(N)C(C)(C)C)ccc1OC(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
ELANE P08246 9/20 0.44
TOP2A P11388 2/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
ADRB2 P07550 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
POLM Q9NP87 1/20 0.38
POLK Q9UBT6 1/20 0.38
POLL Q9UGP5 1/20 0.38
POLH Q9Y253 1/20 0.38
MGLL Q99685 1/20 0.36

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
SCHEMBL11283358 0.94 ALOX15 (0.55) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11277015 0.94 ALOX15 (0.55) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11290043 0.94 ALOX15 (0.55) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11290492 0.94 ALOX15 (0.55) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11284326 0.88 ALOX15 (0.49) ALOX15ELANETOP2ACYP3A4KMT2A
SCHEMBL11284605 0.86 ALOX15 (0.50) ALOX15TOP2AALDH1A1NPC1RAB9A
SCHEMBL11284259 0.86 ALOX15 (0.46) ALOX15ELANETOP2AALDH1A1POLM
SCHEMBL11290593 0.86 ALDH1A1 (0.46) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL11291256 0.85 ALOX15 (0.47) ALOX15TOP2APOLMPOLKPOLL
Hydrochloric Acid SCHEMBL11282567 0.85 ADRB2 (0.47) ELANEALDH1A1LMNACYP3A4HIF1A

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