SCHEMBL8744299

SCHEMBL8744299

Nc1ccccc1CCCc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.59
PTGER4 P35408 1/20 0.59
PTGER3 P43115 1/20 0.59
PTGER2 P43116 1/20 0.59
RARB P10826 6/20 0.49
HDAC8 Q9BY41 2/20 0.49
TSHR P16473 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
TBXAS1 P24557 2/20 0.44
BID P55957 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
BAK1 Q16611 1/20 0.44
HDAC1 Q13547 2/20 0.44

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
SCHEMBL6260223 0.83 PTGER4 (0.67) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL1982703 0.82 HDAC8 (0.67) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL2151219 0.82 SIGMAR1 (0.62) SIGMAR1
SCHEMBL8319817 0.82 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL6825536 0.81 TSHR (0.67) TSHRALDH1A1MAPT
SCHEMBL6256743 0.81 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL6263046 0.81 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL133470 0.80 RARB (0.68) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL6261303 0.80 LMNA (0.53) PTGER1PTGER4PTGER3PTGER2TSHR
SCHEMBL19143887 0.79 RARB (0.58) PTGER1PTGER4PTGER3PTGER2RARB

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-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 EP disclosed