SCHEMBL11283807

SCHEMBL11283807

CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(C(CNC(C)(C)C)CS(=O)(=O)O)cc1OC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
TOP2A P11388 2/20 0.42
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
ADRB2 P07550 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
POLM Q9NP87 1/20 0.36
POLK Q9UBT6 1/20 0.36
POLL Q9UGP5 1/20 0.36
POLH Q9Y253 1/20 0.36
CA2 P00918 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11287417 1.00 ALOX15 (0.45) ALOX15TOP2AALDH1A1LMNACYP3A4
SCHEMBL11288390 1.00 ALOX15 (0.45) ALOX15TOP2AALDH1A1LMNACYP3A4
SCHEMBL11290106 0.90 TBXA2R (0.40) ALOX15TOP2ACA2NPC1RAB9A
SCHEMBL11292338 0.87 ALOX15 (0.48) ALOX15TOP2ATRPV1POLMPOLK
SCHEMBL11277096 0.87 ALOX15 (0.48) ALOX15TOP2ATRPV1POLMPOLK
SCHEMBL11283818 0.85 LMNA (0.48) ALOX15TOP2AALDH1A1LMNACYP3A4
SCHEMBL11288392 0.85 LMNA (0.48) ALOX15TOP2AALDH1A1LMNACYP3A4
SCHEMBL11287420 0.85 LMNA (0.48) ALOX15TOP2AALDH1A1LMNACYP3A4
SCHEMBL11284347 0.84 FAAH (0.38) ALOX15ALDH1A1LMNAPOLMPOLK
SCHEMBL11278379 0.83 LMNA (0.52) ALOX15TOP2AALDH1A1LMNACYP3A4

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 2 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