SCHEMBL11277111

SCHEMBL11277111

CCCCC=CCC=CCCCCCCCCC(=O)Oc1ccc(C(=O)CNC(C)C)cc1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 1/20 0.42
POLK Q9UBT6 1/20 0.42
POLL Q9UGP5 1/20 0.42
POLH Q9Y253 1/20 0.42
EPHX2 P34913 1/20 0.42
ELANE P08246 1/20 0.41
FAAH O00519 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTR2A P28223 2/20 0.41
ALOX12 P18054 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL11289720 0.91 ALOX15 (0.47)
SCHEMBL11277106 0.82 HTR2A (0.42) POLMPOLKPOLLPOLHEPHX2
SCHEMBL11282410 0.82 ALOX15 (0.55) POLMPOLKPOLLPOLHTRPV1
SCHEMBL11281184 0.82 ALOX15 (0.55) POLMPOLKPOLLPOLHTRPV1
Hydrochloric Acid SCHEMBL11636402 0.80 ALOX15 (0.55) POLMPOLKPOLLPOLHTRPV1
SCHEMBL11281650 0.79 ADRB3 (0.43) POLMPOLKPOLLPOLHEPHX2
SCHEMBL11281645 0.78 POLM (0.38) POLMPOLKPOLLPOLHEPHX2
SCHEMBL11291258 0.77 ALOX15 (0.44)
SCHEMBL11288774 0.76 ALOX15 (0.44)
SCHEMBL11284329 0.74 POLM (0.47) POLMPOLKPOLLPOLHEPHX2

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 1 patent. 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