SCHEMBL9546347

SCHEMBL9546347

CCCCC1C=C(Sc2ccc(C)cc2)C(=O)/C1=C\C=C\c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ MAPT P10636 6/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PLIN1 O60240 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PLIN5 Q00G26 1/20 0.35
▸ ABHD5 Q8WTS1 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ HKDC1 Q2TB90 2/20 0.33
▸ HTT P42858 2/20 0.32

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
SCHEMBL9546351 1.00 ALDH1A1 (0.35) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL9546251 0.79 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL9546246 0.79 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL10606628 0.78 MAPT (0.37) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL10606636 0.78 MAPT (0.37) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL9546340 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL9546343 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL10620015 0.70 NFKB1 (0.53) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL10620026 0.70 NFKB1 (0.53) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL9546137 0.69 L3MBTL1 (0.31) ALDH1A1KMT2AMAPTMEN1TDP1

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
EP-0338796-B1 2-SUBSTITUTED-2-CYCLOPENTENONES TEIJIN LIMITED (JP) 1993-03-10 — — EP disclosed
US-5116869-A Antitumor Agents, Bone Formation Accelerator TEIJIN LIMITED (JP) 1992-05-26 — — US disclosed
EP-0338796-A2 2-Substituted-2-cyclopentenones TEIJIN LIMITED (JP) 1989-10-25 — — EP disclosed
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