SCHEMBL23927765

SCHEMBL23927765

CCC(C)Oc1ccc(-c2noc(-c3ccc(C(=O)O)cc3)n2)cc1C1(C)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.49
RARG P13631 4/20 0.49
RARA P10276 3/20 0.49
S1PR1 P21453 7/20 0.45
S1PR3 Q99500 2/20 0.41
MAPT P10636 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAP4K4 O95819 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40

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
SCHEMBL19639510 0.86 RARB (0.50) RARBRARGRARAS1PR1MAPT
SCHEMBL19639449 0.86 RARB (0.67) RARBRARGRARAMAPTNR1H4
SCHEMBL17847412 0.85 RARB (0.51) RARBRARGRARAS1PR1S1PR3
SCHEMBL17847377 0.84 RARB (0.49) RARBRARGRARAS1PR1S1PR3
SCHEMBL19639499 0.83 RARB (0.51) RARBRARGRARAS1PR1MAPT
SCHEMBL19639416 0.83 RARB (0.50) RARBRARGRARAS1PR1S1PR3
SCHEMBL19639455 0.82 RARB (0.49) RARBRARGRARAS1PR1MAPT
SCHEMBL17847385 0.81 RARB (0.64) RARBRARGRARAS1PR1MAPT
SCHEMBL19639487 0.81 RARB (0.48) RARBRARGRARAS1PR1MAPT
SCHEMBL23952923 0.77 RARB (0.42) RARBRARGRARAS1PR1S1PR3

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-3233806-B1 HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RES & DEV (FR) 2021-10-27 EP disclosed