SCHEMBL19910427

SCHEMBL19910427

Cn1nc(CC2CC=C(C(=O)O)C=C2F)c2c1-c1cc(Cl)ccc1OC2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 13/20 0.47
▸ NOTUM Q6P988 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL2546275 0.74 NR1H4 (0.65) NR1H4NOTUMMAPTPOLBRXFP1
SCHEMBL21574213 0.72 NR1H4 (0.47) NR1H4MAPTRXFP1TP53
SCHEMBL19910381 0.71 NR1H4 (0.57) NR1H4MAPTPOLBRXFP1
SCHEMBL19910420 0.69 NR1H4 (0.44) NR1H4MAPTRXFP1TP53
SCHEMBL19910485 0.68 NR1H4 (0.59) NR1H4TP53
SCHEMBL16709823 0.68 NR1H4 (0.55) NR1H4NOTUMMAPTPOLBTP53
SCHEMBL22299180 0.67 NR1H4 (0.57) NR1H4MAPTPOLBTP53
SCHEMBL2542694 0.67 TP53 (0.58) NR1H4MAPTPOLBTP53
SCHEMBL21574214 0.67 NR1H4 (0.55) NR1H4MAPTPOLB
SCHEMBL18198055 0.67 NR1H4 (0.67) NR1H4MAPTPOLB

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-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
Send feedback