SCHEMBL15745446

SCHEMBL15745446

C/C=C(\C#N)c1cc(CO)c(C)cc1OCC(CC)CCCC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CA2 P00918 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.32
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ ATM Q13315 1/20 0.30

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
SCHEMBL17453318 0.87 TDP1 (0.36) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL17678681 0.85 MAPT (0.31) ALDH1A1LMNACYP3A4TDP1
SCHEMBL10051596 0.78 — —
SCHEMBL12246343 0.77 ALDH1A1 (0.35) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL13475567 0.75 CYP3A4 (0.44) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL266814 0.73 — —
SCHEMBL12886723 0.73 ALDH1A1 (0.46) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL28368287 0.71 MEN1 (0.43) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL12573503 0.70 CYP3A4 (0.40) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL13201753 0.69 ALDH1A1 (0.35) ALDH1A1MAPK1LMNACYP3A4CA2

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
US-20140144496-A1 PHOTOELECTRIC CONVERSION DEVICE AND METHOD FOR PRODUCING THE SAME FUJITSU LIMITED (JP) 2014-05-29 — — US disclosed
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