SCHEMBL21712439

SCHEMBL21712439

CCCCS(CCCC)(CCCC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ PSIP1 O75475 1/20 0.44
▸ PCSK9 Q8NBP7 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ PTGS2 P35354 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MMP1 P03956 3/20 0.36
▸ MMP7 P09237 3/20 0.36
▸ MMP12 P39900 3/20 0.36
▸ MMP13 P45452 3/20 0.36
▸ ACE P12821 2/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35

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
SCHEMBL28530105 0.91 TDP1 (0.44) TDP1PSIP1PCSK9PKMSMN1; SMN2
SCHEMBL2839087 0.81 TDP1 (0.47) TDP1PSIP1PCSK9ALDH1A1TSHR
SCHEMBL11034752 0.80 TDP1 (0.40) TDP1PSIP1PCSK9PKMSMN1; SMN2
SCHEMBL21186441 0.79 TDP1 (0.46) TDP1PSIP1PCSK9ALDH1A1TSHR
SCHEMBL777886 0.77 PSIP1 (0.64) TDP1PSIP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL21191483 0.77 TDP1 (0.44) TDP1PSIP1PCSK9ALDH1A1TSHR
SCHEMBL7596391 0.74 TDP1 (0.46) TDP1PSIP1PCSK9ALDH1A1TSHR
SCHEMBL9412381 0.74 TDP1 (0.50) TDP1PSIP1ALDH1A1TSHRGAA
SCHEMBL13975673 0.74 TDP1 (0.50) TDP1PSIP1ALDH1A1TSHRGAA
SCHEMBL3412526 0.73 TDP1 (0.44) TDP1PSIP1PCSK9PKMSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020031958-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE SHEET, CURED FILMS OF THESE PRODUCTS AND METHODS FOR PRODUCING SAID CURED FILMS, AND ELECTRONIC COMPONENT 東レ株式会社 2020-02-13 — — WO disclosed
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