SCHEMBL9617970

SCHEMBL9617970

CCC1(COc2ccc(S(=O)(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2)CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.45
▸ MMP1 P03956 3/20 0.45
▸ MMP13 P45452 3/20 0.45
▸ AR P10275 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ PIR O00625 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ PTPRZ1 P23471 1/20 0.40
▸ ADAM17 P78536 2/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ OPRM1 P35372 1/20 0.39

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
SCHEMBL6301749 0.86 MAOB (0.48) MAOBMMP1MMP13ARHRH3
SCHEMBL8611881 0.78 PKM (0.49) MAOBHRH3HPGDPTPRZ1FFAR1
SCHEMBL31349 0.77 CA12 (0.52) MAOBMMP1MMP13ARPIR
SCHEMBL420238 0.76 MAOB (0.56) MAOBARHRH3PARP10PIR
SCHEMBL6301481 0.74 ALDH1A1 (0.72) MAOBMMP1MMP13ARHRH3
SCHEMBL12769558 0.74 HTT (0.58) MAOBARHRH3PARP10PIR
SCHEMBL87194 0.73 BCHE (0.56) MAOBARALDH1A1NPC1RAB9A
SCHEMBL12407772 0.73 BCHE (0.56) MAOBARALDH1A1NPC1RAB9A
SCHEMBL18164546 0.72 AR (0.57) MAOBARHRH3PARP10PIR
SCHEMBL10468809 0.71 CA1 (0.33) ALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4275178-A — — None — — JP disclosed
JP-H04275178-A THERMOSENSIBLE RECORDING MATERIAL OJI PAPER CO LTD 1992-09-30 — — JP disclosed
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