SCHEMBL13680790

SCHEMBL13680790

Cc1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
PTPN5 P54829 1/20 0.41
BCL2 P10415 1/20 0.41
GPR52 Q9Y2T5 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
MPO P05164 1/20 0.38
IDH1 O75874 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
HTR7 P34969 2/20 0.37
PTGS2 P35354 2/20 0.37
DHODH Q02127 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL25496062 0.89 FFAR1 (0.42) FFAR1PTPN5BCL2GPR84MPO
SCHEMBL418611 0.86 GPR52 (0.50) FFAR1BCL2GPR52GPR84ACMSD
SCHEMBL8413593 0.83 TAAR1 (0.44) BCL2GPR52GPR84HTR7ACMSD
SCHEMBL13680784 0.83 ABL1 (0.50) FFAR1GPR52ANO1
SCHEMBL13680788 0.81 MAPT (0.50) BCL2GPR52LIPGPTGS2
SCHEMBL65650 0.80 TAAR1 (0.57) GPR52GPR84TAAR1
SCHEMBL13680808 0.80 EPHX2 (0.38)
SCHEMBL13681324 0.80 BCL2 (0.63) BCL2GPR52ACMSD
SCHEMBL13681341 0.80 HRH3 (0.43)
SCHEMBL13680787 0.80 AGXT (0.56) FFAR1PTPN5DHODHTAAR1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed