SCHEMBL20458837

SCHEMBL20458837

CCC(C)c1cccc2[nH]cc(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 6/20 0.44
▸ TSHR P16473 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ VDR P11473 1/20 0.35
▸ FFAR1 O14842 3/20 0.34

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
SCHEMBL22095932 0.83 GPR84 (0.44) GPR84TSHRCA1CA2CA9
SCHEMBL28417664 0.80 GPR84 (0.42) GPR84CA1CA2CA9SLC6A4
SCHEMBL20371663 0.75 GPR84 (0.53) GPR84TSHRHTR2AHTR2CHTR2B
SCHEMBL20216311 0.74 GPR84 (0.51) GPR84TSHRSLC6A4HTR2AHTR2C
SCHEMBL10911463 0.74 LMNA (0.40) GPR84CA1CA2CA9SLC6A4
SCHEMBL10262953 0.73 GPR84 (0.58) GPR84CA1CA2CA9SLC6A4
SCHEMBL19040082 0.73 GPR84 (0.53) GPR84SLC6A4HTR2AHTR2CHTR2B
SCHEMBL10912848 0.72 CYP51A1 (0.40) GPR84SLC6A4HTR2AHTR2CHTR2B
SCHEMBL29764387 0.70 GPR84 (0.64) GPR84CA1CA2CA9SLC6A4
SCHEMBL15826494 0.70 GPR84 (0.64) GPR84CA1CA2CA9SLC6A4

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
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 — — EP disclosed
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