SCHEMBL28006954

SCHEMBL28006954

CCCCC=Cc1ccc(O)cc1.Cc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.45
▸ HCAR1 Q9BXC0 1/20 0.44
▸ TTR P02766 1/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ TPMT P51580 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TRPM2 O94759 1/20 0.38
▸ HSD17B3 P37058 2/20 0.38
▸ PSMB11 A5LHX3 3/20 0.38
▸ PSMA7 O14818 3/20 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
SCHEMBL28818083 0.89 PDE5A (0.47) PDE5AHCAR1TPMTMAOAMAOB
SCHEMBL28006644 0.83 TTR (0.43) PDE5ATTRABCG2CA12CA1
SCHEMBL28090813 0.82 PDE5A (0.42) PDE5AHCAR1TPMTALDH1A1CYP1A2
SCHEMBL2787514 0.81 RARB (0.47) PDE5AMAPTMEN1ALDH1A1TP53
SCHEMBL8408465 0.81 TNNC1 (0.47) ABCG2CA12CA1CA2CA7
SCHEMBL1888738 0.81 TNNC1 (0.47) ABCG2CA12CA1CA2CA7
SCHEMBL14672796 0.77 TNNC1 (0.51) MAPTESR1MEN1ALDH1A1TP53
SCHEMBL6444344 0.76 TNNC1 (0.52) ABCG2MAPTPSMB11PSMA7PSMB1
SCHEMBL6444338 0.76 TNNC1 (0.52) ABCG2MAPTPSMB11PSMA7PSMB1
SCHEMBL23495873 0.76 TNNC1 (0.53) MAPTMEN1ALDH1A1TP53KMT2A

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
CN-107208120-A Rapid pretreatment 斯威特沃特能源公司 2017-09-26 — — CN disclosed
CN-104428421-A Process for using tobacco KIND CONSUMER LTD 2015-03-18 — — CN disclosed
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