SCHEMBL11109198

SCHEMBL11109198

COc1cc(SC)cc(C(=O)O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ HPGD P15428 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TPMT P51580 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL11104445 0.82 KDM4E (0.44) LCKFYNPKMHPGDALDH1A1
SCHEMBL7911729 0.79 CYP1A1 (0.58) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL503977 0.77 GAA (0.65) MCL1HPGDALDH1A1KDM4EMAPT
SCHEMBL10373746 0.77 MCL1 (0.61) LCKFYNMCL1HPGDALDH1A1
SCHEMBL1613893 0.77 TPMT (0.68) LCKFYNPKMHPGDALDH1A1
SCHEMBL8554349 0.77 MAPT (0.63) LCKFYNPKMMCL1HPGD
SCHEMBL10355461 0.77 ACHE (0.59) LCKFYNPKMMCL1HPGD
SCHEMBL4847814 0.77 KDM4E (0.53) LCKFYNPKMHPGDALDH1A1
SCHEMBL1438926 0.76 PKM (0.62) LCKFYNPKMHPGDALDH1A1
SCHEMBL9787558 0.75 PKM (0.49) LCKFYNPKMHPGDALDH1A1

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
US-4434170-A NEUROLEPTIC AGENTS, ANTIEMETICS, LAXATIVES DELALANDE S.A. (FR) 1984-02-28 — — US disclosed
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