SCHEMBL789416

SCHEMBL789416

C(C#Cc1ccccc1)#Cc1ccccc1.OBO.OBO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.58
▸ MAPT P10636 2/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ THPO P40225 1/20 0.42
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ FFAR1 O14842 4/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 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
Benzene SCHEMBL28733255 0.88 APP (0.73) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30495998 0.88 APP (0.73) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL403663 0.88 APP (0.73) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL17312253 0.88 APP (0.73) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL789418 0.85 APP (0.48) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9121457 0.85 APP (0.69) APPMAPTCYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL27339044 0.78 APP (0.92) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL15313378 0.78 APP (0.58) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9433745 0.76 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
Butadiene SCHEMBL8867166 0.76 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11213800-B2 Covalent organic framework films, and methods of making and uses of same CORNELL UNIVERSITY (US) 2022-01-04 — — US disclosed
US-20140037944-A1 COVALENT ORGANIC FRAMEWORK FILMS, AND METHODS OF MAKING AND USES OF SAME CORNELL UNIVERSITY (US) 2014-02-06 — — US disclosed
WO-2012037090-A2 COVALENT ORGANIC FRAMEWORK FILMS, AND METHODS OF MAKING AND USES OF SAME CORNELL UNIVERSITY (US) 2012-03-22 — — WO disclosed
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