SCHEMBL23796403

SCHEMBL23796403

Nc1c(Br)cc(OC(F)(F)F)cc1CO

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
ADRB2 P07550 4/20 0.32
RUNX1 Q01196 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
EGLN1 Q9GZT9 1/20 0.30
USP28 Q96RU2 1/20 0.30
USP25 Q9UHP3 1/20 0.30

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
SCHEMBL968221 0.82 GAA (0.44) ALDH1A1POLBGAATHRBEGLN1
SCHEMBL11621614 0.79 PDE4A (0.38) ALDH1A1POLBADRB2
SCHEMBL1610816 0.77 GAA (0.34) ALDH1A1POLBGAATHRBFFAR4
SCHEMBL30636513 0.76 GPR3 (0.41) ALDH1A1POLBGAATHRBMAOB
SCHEMBL16952446 0.76 GPR3 (0.41) ALDH1A1POLBGAATHRBMAOB
SCHEMBL18615589 0.74 MAPT (0.38) MAOBAOC3PTGS1PTGS2
SCHEMBL14676282 0.74 CA1 (0.42) ALDH1A1POLBGAATHRB
SCHEMBL21603490 0.74 PTGS1 (0.34) ALDH1A1POLBGAATHRBFFAR4
SCHEMBL19643366 0.74 CA1 (0.42) ALDH1A1POLBGAATHRB
SCHEMBL29778859 0.74 CA1 (0.42) ALDH1A1POLBGAATHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272036-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed
CN-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed