SCHEMBL11813184

SCHEMBL11813184

O=C(CCl)c1ccc2c(c1)Cc1c(cccc1C(=O)CCl)S2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GSK3B P49841 5/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ YAP1 P46937 1/20 0.33
▸ TEAD4 Q15561 1/20 0.33
▸ TEAD2 Q15562 1/20 0.33
▸ CTNNB1 P35222 2/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL11827023 0.86 CTNNB1 (0.36) KDM4ERAB9ACTNNB1WNT3ANPC1
SCHEMBL11813095 0.83 GSK3B (0.44) ALDH1A1MAPTSMN1; SMN2GSK3BTRPA1
SCHEMBL11819130 0.80 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2TRPA1KDM4E
SCHEMBL11752267 0.79 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDL3MBTL1
Hydrochloric Acid SCHEMBL11813656 0.78 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL11811393 0.77 L3MBTL1 (0.38) MAPTSMN1; SMN2CTNNB1WNT3AL3MBTL1
SCHEMBL11746360 0.76 L3MBTL1 (0.51) ALDH1A1MAPTKDM4EHPGDL3MBTL1
Hydrochloric Acid SCHEMBL11816781 0.76 L3MBTL1 (0.40) MAPTSMN1; SMN2L3MBTL1
SCHEMBL11730430 0.73 CTNNB1 (0.36) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL28092927 0.71 ALDH1A1 (0.41) ALDH1A1MAPTTRPA1KDM4ELMNA

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-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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