SCHEMBL8958740

SCHEMBL8958740

CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C=C(C(=O)O)c1ccc(I)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
MAPK1 P28482 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL8958735 1.00 MEN1 (0.61) MEN1LMNACYP1A2MAPK1BLM
SCHEMBL8752584 0.93 MEN1 (0.65) MEN1LMNACYP1A2MAPK1BLM
SCHEMBL8752594 0.93 MEN1 (0.65) MEN1LMNACYP1A2MAPK1BLM
SCHEMBL8752578 0.93 MEN1 (0.65) MEN1LMNACYP1A2MAPK1BLM
SCHEMBL8752536 0.92 MEN1 (0.64) MEN1LMNACYP1A2MAPK1BLM
SCHEMBL8752653 0.92 MEN1 (0.64) MEN1LMNACYP1A2MAPK1BLM
SCHEMBL8752541 0.92 MEN1 (0.64) MEN1LMNACYP1A2MAPK1BLM
SCHEMBL8752564 0.92 MEN1 (0.72) MEN1LMNACYP1A2MAPK1BLM
SCHEMBL8752571 0.92 MEN1 (0.72) MEN1LMNACYP1A2MAPK1BLM
SCHEMBL8752615 0.92 MEN1 (0.72) MEN1LMNACYP1A2MAPK1BLM

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-5519048-A 3-(indol-3-yl)-propenoic acid derivatives and pharmaceutical compositions thereof MERRELL PHARMACEUTICALS INC. (US) 1996-05-21 US claimed
US-5519048-A 3-(indol-3-yl)-propenoic acid derivatives and pharmaceutical compositions thereof MERRELL PHARMACEUTICALS INC. (US) 1996-05-21 US disclosed