SCHEMBL29259169

SCHEMBL29259169

CC(C)(C)OC(=O)N1CCc2cc(SCc3ccccc3)ccc2C1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 18/20 0.51
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30439807 0.90 GHSR (0.49) GHSRMAPTNPSR1GAATHRB
SCHEMBL29233311 0.88 GHSR (0.49) GHSR
SCHEMBL25895788 0.85 GHSR (0.49) GHSR
SCHEMBL29233309 0.84 GHSR (0.55) GHSR
SCHEMBL30187446 0.82 RORC (0.53) GHSR
SCHEMBL14863165 0.81 GHSR (0.73) GHSR
SCHEMBL18940023 0.81 MAPT (0.42) GHSRMAPTNPSR1GAATHRB
SCHEMBL18940138 0.80 MAPT (0.42) GHSRMAPTNPSR1GAATHRB
SCHEMBL14744581 0.80 ACE (0.56) GHSR
SCHEMBL18066415 0.80 ACE (0.56) GHSR

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
CN-118580188-A Can be used as ROR gamma regulator aniline compound (B) 励缔(杭州)医药科技有限公司 2024-09-03 CN disclosed
CN-113773251-B Anilines useful as rory modulators 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed