SCHEMBL31444366

SCHEMBL31444366

COC1CC(c2ccccc2Cl)N(c2ccc(C(=O)O)c(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.40
NR1H4 Q96RI1 7/20 0.40
BACE1 P56817 1/20 0.38
PDE5A O76074 1/20 0.37
FFAR2 O15552 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
F10 P00742 1/20 0.35
FFAR1 O14842 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CMA1 P23946 1/20 0.35

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
SCHEMBL31444516 0.91 NR1H4 (0.43) NR1H4BACE1FFAR2HSP90AA1HSP90AB1
SCHEMBL31444342 0.85 RORC (0.43) RORCNR1H4PDE5AFFAR2HSP90AA1
SCHEMBL31444351 0.82 NR1H4 (0.41) NR1H4FFAR2HSP90AA1HSP90AB1USP30
SCHEMBL31443722 0.80 NR1H4 (0.34) NR1H4F10USP30
SCHEMBL31444288 0.80 NR1H4 (0.43) NR1H4FFAR2HSP90AA1HSP90AB1USP30
SCHEMBL31444372 0.75 RORC (0.41) RORCNR1H4PDE5AFFAR2HSP90AA1
SCHEMBL31444350 0.73 RORC (0.40) RORCNR1H4PDE5AFFAR2HSP90AA1
SCHEMBL31444719 0.73 RORC (0.42) RORCNR1H4PDE5AFFAR2HSP90AA1
SCHEMBL31444401 0.70 NR1H4 (0.39) RORCNR1H4PDE5AHSP90AA1HSP90AB1
SCHEMBL31444309 0.69 ALDH1A1 (0.40) PDE5AFFAR2

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
WO-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed