SCHEMBL8995037

SCHEMBL8995037

CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)cc1Cl)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.43
THRA P10827 2/20 0.43
LTB4R Q15722 3/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.37
SRD5A2 P31213 1/20 0.36
ALB P02768 1/20 0.36
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL8995059 0.99 THRB (0.43) THRBTHRALTB4RCA1CA2
Hydrochloric Acid SCHEMBL9700654 0.89 THRB (0.40) THRBTHRALTB4RCA1CA2
SCHEMBL7711188 0.88 MAOB (0.48) LTB4RLTB4R2MAOBMAOAALB
Hydrochloric Acid SCHEMBL8995085 0.88 MAOB (0.47) LTB4RLTB4R2MAOBMAOAALB
Hydrochloric Acid SCHEMBL8995056 0.88 LTB4R (0.44) THRBTHRALTB4RLTB4R2MEN1
Hydrochloric Acid SCHEMBL8995058 0.88 LTB4R (0.42) THRBTHRALTB4RCA1CA2
SCHEMBL8995022 0.86 CA1 (0.41) THRBTHRACA1CA2CA9
Acetic Acid SCHEMBL7716017 0.86 MAOB (0.46) LTB4RLTB4R2MAOBMAOAALB
Hydrochloric Acid SCHEMBL8994966 0.86 LTB4R (0.49) THRBTHRALTB4RLTB4R2MEN1
Hydrochloric Acid SCHEMBL8994900 0.86 CA1 (0.41) THRBTHRACA1CA2CA9

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-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed