SCHEMBL11844403

SCHEMBL11844403

CCOC(=O)Cc1ccc(-c2ccccc2SCCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ CYP4Z1 Q86W10 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ LDHA P00338 1/20 0.38
▸ LDHB P07195 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL11843290 0.81 ABCC4 (0.54) LMNATSHR
SCHEMBL11837625 0.80 CYP4F2 (0.44) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL11839428 0.80 MAPT (0.49) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL11832497 0.80 LMNA (0.47) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL11839196 0.79 ALDH1A1 (0.48) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL11727313 0.77 CA12 (0.47) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL3227634 0.76 GAA (0.58) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL68930 0.75 CYP4Z1 (0.57) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL11847298 0.74 MAPT (0.51) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
Hydrochloric Acid SCHEMBL7390203 0.74 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2NPC1PKMNFKB1

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-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
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