SCHEMBL11277089

SCHEMBL11277089

CCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccc(C(CNC(C)C)OS(C)(=O)=O)cc1OC(=O)CCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
TOP2A P11388 2/20 0.43
TRPV1 Q8NER1 1/20 0.37
POLM Q9NP87 2/20 0.36
POLK Q9UBT6 2/20 0.36
POLL Q9UGP5 2/20 0.36
POLH Q9Y253 2/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ELANE P08246 1/20 0.34
CA2 P00918 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
SCHEMBL11292335 1.00 ALOX15 (0.48) ALOX15TOP2ATRPV1POLMPOLK
SCHEMBL11283211 0.92 ALOX15 (0.42) ALOX15TOP2APOLMPOLKPOLL
SCHEMBL11283669 0.89 ALOX15 (0.36) ALOX15TOP2AKMT2A
SCHEMBL11283786 0.87 ALOX15 (0.45) ALOX15TOP2ATRPV1POLMPOLK
SCHEMBL11287415 0.87 ALOX15 (0.45) ALOX15TOP2ATRPV1POLMPOLK
SCHEMBL11288388 0.87 ALOX15 (0.45) ALOX15TOP2ATRPV1POLMPOLK
SCHEMBL11287422 0.86 ALOX15 (0.35) ALOX15TOP2AELANE
SCHEMBL11277102 0.85 ALOX15 (0.50) ALOX15TOP2AGAATDP1KMT2A
SCHEMBL11292342 0.85 ALOX15 (0.50) ALOX15TOP2AGAATDP1KMT2A
SCHEMBL11292338 0.81 ALOX15 (0.48) ALOX15TOP2ATRPV1POLMPOLK

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