SCHEMBL24749796

SCHEMBL24749796

COCC(=O)N1CCCC1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.43
FKBP1A P62942 3/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ROCK2 O75116 1/20 0.42
MVD P53602 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
ACE P12821 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL29149471 1.00 KLK5 (0.43) KLK5FKBP1AALDH1A1HSD17B10ROCK2
SCHEMBL14045138 0.85 FKBP1A (0.45) KLK5FKBP1AHSD17B10ROCK2SMN1; SMN2
SCHEMBL196944 0.85 FKBP1A (0.45) KLK5FKBP1AHSD17B10ROCK2SMN1; SMN2
SCHEMBL2606998 0.84 ALDH1A1 (0.54) KLK5FKBP1AALDH1A1MVDSMN1; SMN2
SCHEMBL23135776 0.84 ALDH1A1 (0.54) KLK5FKBP1AALDH1A1MVDSMN1; SMN2
SCHEMBL196943 0.84 HSD17B10 (0.43) KLK5FKBP1AHSD17B10ROCK2SMN1; SMN2
SCHEMBL18065823 0.84 HSD17B10 (0.43) KLK5FKBP1AALDH1A1HSD17B10ROCK2
SCHEMBL2115151 0.84 HSD17B10 (0.43) KLK5FKBP1AALDH1A1HSD17B10ROCK2
SCHEMBL7256996 0.84 HSD17B10 (0.43) KLK5FKBP1AHSD17B10ROCK2SMN1; SMN2
SCHEMBL7256995 0.84 HSD17B10 (0.43) KLK5FKBP1AHSD17B10ROCK2SMN1; SMN2

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-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed