SCHEMBL11290055

SCHEMBL11290055

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
TOP2A P11388 2/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
THRA P10827 4/20 0.42
THRB P10828 4/20 0.42
MGLL Q99685 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
POLM Q9NP87 1/20 0.40
POLK Q9UBT6 1/20 0.40
POLL Q9UGP5 1/20 0.40
POLH Q9Y253 1/20 0.40
HSD17B3 P37058 5/20 0.39

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
SCHEMBL11283360 1.00 ALOX15 (0.51) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11290495 1.00 ALOX15 (0.51) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11277018 1.00 ALOX15 (0.51) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11284144 0.94 ALOX15 (0.46) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11284329 0.94 POLM (0.47) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11284260 0.92 POLM (0.44) ALOX15TOP2ATHRATHRBMGLL
SCHEMBL11284617 0.92 ALOX15 (0.47) ALOX15TOP2ANPC1RAB9AKMT2A
SCHEMBL11291258 0.91 ALOX15 (0.44) ALOX15TOP2ATHRATHRBHSD17B3
Hydrochloric Acid SCHEMBL11283417 0.89 ALOX15 (0.48) ALOX15RAB9AKMT2A
SCHEMBL11284610 0.89 KMT2A (0.43) ALOX15TOP2ANPC1RAB9AKMT2A

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