SCHEMBL23900409

SCHEMBL23900409

C=CCC(C)CCSCc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 0.45
▸ POLB P06746 7/20 0.45
▸ MAPT P10636 5/20 0.45
▸ TDP1 Q9NUW8 4/20 0.45
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ HPGD P15428 4/20 0.38
▸ USP2 O75604 3/20 0.38
▸ RECQL P46063 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL25279455 0.77 ALDH1A1 (0.50) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL4869503 0.72 ALDH1A1 (0.54) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL6130008 0.71 ALDH1A1 (0.57) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL3940524 0.70 — —
SCHEMBL10410638 0.70 ALDH1A1 (0.60) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL140950 0.70 TSHR (0.59) ALDH1A1POLBMAPTTDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL10914529 0.69 ALDH1A1 (0.50) ALDH1A1POLBMAPTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL10410636 0.69 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL4434792 0.69 — —
SCHEMBL423623 0.68 ALDH1A1 (0.54) ALDH1A1POLBMAPTTDP1L3MBTL1

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
WO-2021203060-A1 BYPRODUCT FREE METHODS FOR SOLID HYBRID ELECTROLYTE Blue Current, Inc. (US) 2021-10-07 — — WO disclosed
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