SCHEMBL8533902

SCHEMBL8533902

COC(=O)c1ccc(C(C)c2c[nH]c3ccc(C(=O)O)cc23)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CDK2 P24941 1/20 0.41
MAPT P10636 1/20 0.40
CPT2 P23786 2/20 0.40
CPT1A P50416 2/20 0.40
CPT1B Q92523 2/20 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
SCHEMBL8533040 1.00 GPR84 (0.46) GPR84MEN1KMT2ACA12CA1
SCHEMBL8532689 0.95 GPR84 (0.49) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL8536466 0.94 CA12 (0.47) CA12CA1CA2CA4CA6
SCHEMBL8532302 0.90 GPR84 (0.45) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL3671157 0.88 GPR84 (0.42) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL6723270 0.87 HTT (0.43) CA12CA1CA2CA4CA6
SCHEMBL9372304 0.86 ALDH1A1 (0.42) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL8536304 0.86 GPR84 (0.47) GPR84KMT2ACDK2MAPTNPC1
SCHEMBL9489476 0.85 THRA (0.43) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL9373727 0.85 PPARA (0.41) GPR84TRPV1MTNR1AMTNR1BCDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 EP disclosed
US-5334765-A Intermediate for leukotriene antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
EP-0432984-A2 Carbamoyl derivatives ZENECA LIMITED (GB) 1991-06-19 EP disclosed