SCHEMBL14613770

SCHEMBL14613770

C=CC(=O)CCc1ccccc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 2/20 0.38
▸ CYSLTR2 Q9NS75 6/20 0.37
▸ CYSLTR1 Q9Y271 6/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SOAT1 P35610 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 1/20 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
SCHEMBL11391402 0.81 IAPP (0.45) LPAR1CYSLTR2CYSLTR1KMT2ALMNA
SCHEMBL4601121 0.80 ALDH1A1 (0.42) LPAR1CYSLTR2CYSLTR1KMT2ALMNA
SCHEMBL14614108 0.80 CYP4F2 (0.44) LMNAGABRA1GABRB2THRATHRB
SCHEMBL4601974 0.80 CYSLTR2 (0.50) CYSLTR2CYSLTR1KDM4E
SCHEMBL14220480 0.78 GABRA1 (0.39) LPAR1CYSLTR2CYSLTR1KMT2ALMNA
SCHEMBL4601904 0.78 SMN1; SMN2 (0.40) LPAR1CYSLTR2CYSLTR1KMT2ALMNA
SCHEMBL2441467 0.78 NOTUM (0.48) KMT2AMEN1MAPT
SCHEMBL27850986 0.77 IAPP (0.54) CYSLTR2CYSLTR1SMN1; SMN2GABRA1GABRB2
SCHEMBL9308692 0.76 TAAR1 (0.47) SLC6A4
SCHEMBL27613400 0.74 ALDH1A1 (0.48) LPAR1KMT2ALMNAMEN1KDM4E

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-1315750-B1 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2007-02-14 — — EP disclosed
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