SCHEMBL10682016

SCHEMBL10682016

COC(=O)CCCSc1nnnn1C1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL10682396 0.89 L3MBTL1 (0.58) ALDH1A1L3MBTL1LMNATP53TSHR
SCHEMBL10674943 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNATP53TSHR
SCHEMBL10678423 0.82 LMNA (0.47) ALDH1A1L3MBTL1LMNATSHRRAB9A
SCHEMBL10675622 0.81 LMNA (0.47) ALDH1A1L3MBTL1LMNATSHRRAB9A
SCHEMBL10677814 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1LMNATP53TSHR
SCHEMBL10677615 0.80 LMNA (0.42) ALDH1A1L3MBTL1LMNATP53TSHR
SCHEMBL10683954 0.78 L3MBTL1 (0.56) ALDH1A1L3MBTL1LMNATP53TSHR
SCHEMBL10677169 0.78 L3MBTL1 (0.56) ALDH1A1L3MBTL1LMNATP53TSHR
SCHEMBL10682853 0.77 L3MBTL1 (0.54) ALDH1A1L3MBTL1LMNATSHRRAB9A
SCHEMBL10673586 0.77 L3MBTL1 (0.49) ALDH1A1L3MBTL1LMNATSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4766120-A ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-08-23 US disclosed
US-4663323-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-05-05 US disclosed
EP-0035046-B1 NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP disclosed
US-4540703-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-09-10 US disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed