SCHEMBL8073216

SCHEMBL8073216

O=C(C=Cc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1)Nc1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.49
TRPM8 Q7Z2W7 4/20 0.49
TRPM2 O94759 6/20 0.47
LTB4R Q15722 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 2/20 0.47
APEX1 P27695 2/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8073208 1.00 TRPA1 (0.49) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL7830758 0.82 MMP1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL7815807 0.81 NPC1 (0.33) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7822903 0.79 IAPP (0.38) NPC1RAB9ATDP1GRIK1GRIA1
SCHEMBL7826959 0.78 TTR (0.41) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL7826963 0.78 TTR (0.41) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL7827855 0.77 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7827848 0.77 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8068052 0.74 TRPA1 (0.51) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL8068049 0.74 TRPA1 (0.51) TRPA1TRPM8TRPM2LTB4RMEN1

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-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed