SCHEMBL24723567

SCHEMBL24723567

CC(C)=CCC/C(C)=C\COc1ccc(CCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.60
PPARD Q03181 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
ALOX15 P16050 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 1/20 0.51
NDUFS8 O00217 1/20 0.51
COXFA4 O00483 1/20 0.51
NDUFAB1 O14561 1/20 0.51
NDUFA1 O15239 1/20 0.51
NDUFS4 O43181 1/20 0.51
NDUFB5 O43674 1/20 0.51
NDUFB3 O43676 1/20 0.51
NDUFC1 O43677 1/20 0.51
NDUFA2 O43678 1/20 0.51
NDUFS5 O43920 1/20 0.51
NDUFS7 O75251 1/20 0.51
NDUFS2 O75306 1/20 0.51
NDUFS6 O75380 1/20 0.51

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
SCHEMBL5092438 1.00 TRPV1 (0.60) TRPV1PPARDL3MBTL1LMNAALOX15
SCHEMBL5092441 1.00 TRPV1 (0.60) TRPV1PPARDL3MBTL1LMNAALOX15
SCHEMBL12039195 0.99 TRPV1 (0.58) TRPV1PPARDL3MBTL1LMNAALOX15
SCHEMBL2477691 0.99 TRPV1 (0.58) TRPV1PPARDL3MBTL1LMNAALOX15
SCHEMBL18265475 0.89 PPARD (0.63) PPARDL3MBTL1LMNANDUFS8COXFA4
SCHEMBL5088772 0.88 TRPV1 (0.62) TRPV1PPARDL3MBTL1ALOX15TDP1
SCHEMBL5088775 0.88 TRPV1 (0.62) TRPV1PPARDL3MBTL1ALOX15TDP1
SCHEMBL7168649 0.87 TRPV1 (0.60) TRPV1PPARDL3MBTL1ALOX15TDP1
SCHEMBL22823954 0.86 TRPV1 (0.59) TRPV1L3MBTL1ALOX15TDP1KDM4E
SCHEMBL9636055 0.86 TRPV1 (0.59) TRPV1L3MBTL1ALOX15TDP1KDM4E

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-3737470-B1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS Celon Pharma Sa (PL) 2022-12-14 EP disclosed