SCHEMBL31114914

SCHEMBL31114914

CC(C)(C)OC(=O)N1CC[C@@H]1CBr

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CTSK P43235 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19950330 1.00 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL19951601 1.00 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL398772 0.90 HSD17B10 (0.48) HSD17B10HPGDATMSMN1; SMN2ALDH1A1
SCHEMBL29739 0.90 HSD17B10 (0.48) HSD17B10HPGDATMSMN1; SMN2ALDH1A1
SCHEMBL539034 0.90 HSD17B10 (0.48) HSD17B10HPGDATMSMN1; SMN2ALDH1A1
SCHEMBL190190 0.89 PDE8B (0.47) HSD17B10HPGDATMSMN1; SMN2CTSK
SCHEMBL24121385 0.84 ATM (0.42) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL4967116 0.84 HSD17B10 (0.41) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL8073389 0.84 HSD17B10 (0.41) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL71904 0.84 NR1H2 (0.45) HSD17B10CHRM2CHRM1CHRM3HPGD

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-3519409-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION GILEAD SCIENCES INC (US) 2024-09-18 — — EP disclosed
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