SCHEMBL8536304

SCHEMBL8536304

COC(=O)c1ccc(C(C)c2c[nH]c3ccc(C(=O)OCc4ccccc4)cc23)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 6/20 0.42
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
TACR1 P25103 2/20 0.41
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CDK2 P24941 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL8532689 0.88 GPR84 (0.49) GPR84RXFP1MAPTALDH1A1RAB9A
SCHEMBL8533040 0.86 GPR84 (0.46) GPR84MAPTALDH1A1TSHRNPC1
SCHEMBL8533902 0.86 GPR84 (0.46) GPR84MAPTALDH1A1TSHRNPC1
SCHEMBL8532302 0.83 GPR84 (0.45) GPR84RXFP1MAPTALDH1A1NPC1
SCHEMBL9373727 0.82 PPARA (0.41) GPR84RXFP1MAPTNPC1CDK2
SCHEMBL9489476 0.82 THRA (0.43) GPR84RXFP1MAPTALDH1A1NPC1
SCHEMBL3671157 0.81 GPR84 (0.42) GPR84RXFP1MAPTNPC1KMT2A
SCHEMBL8530246 0.81 GPR84 (0.65) GPR84RXFP1MAPTCYP3A4ALDH1A1
SCHEMBL10469189 0.80 GPR84 (0.39) GPR84MAPTALDH1A1NPC1CDK2
SCHEMBL8536466 0.80 CA12 (0.47) TSHRRAB9ALMNA

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