SCHEMBL8644412

SCHEMBL8644412

CCN(CC)CCCCOC(=O)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.67
▸ SCN1A P35498 4/20 0.64
▸ SCN2A Q99250 4/20 0.64
▸ SCN3A Q9NY46 4/20 0.64
▸ TSHR P16473 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAOB P27338 2/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ CHRM2 P08172 1/20 0.48
▸ CHRM1 P11229 1/20 0.48

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
SCHEMBL8637734 0.96 SCN1A (0.69) TDP1SCN1ASCN2ASCN3ATSHR
Detanosal SCHEMBL2110875 0.90 SCN1A (0.68) TDP1SCN1ASCN2ASCN3ATSHR
Detanosal SCHEMBL30397539 0.88 SCN1A (0.66) TDP1SCN1ASCN2ASCN3ATSHR
Detanosal SCHEMBL29163805 0.88 SCN1A (0.66) TDP1SCN1ASCN2ASCN3ATSHR
Detanosal SCHEMBL27797753 0.86 SCN1A (0.67) TDP1SCN1ASCN2ASCN3ATSHR
SCHEMBL8641123 0.85 TDP1 (0.71) TDP1TSHRCYP3A4TP53MAPK1
SCHEMBL9765812 0.84 TDP1 (0.92) TDP1TSHRCYP3A4TP53MAPK1
SCHEMBL88285 0.83 TSHR (0.81) TDP1TSHRCYP3A4TP53MAPK1
SCHEMBL12095195 0.83 TSHR (0.81) TDP1TSHRCYP3A4TP53MAPK1
SCHEMBL29408707 0.83 TDP1 (0.89) TDP1TSHRCYP3A4TP53MAPK1

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
US-5753407-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-19 — — US disclosed
US-5585217-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1996-12-17 — — US disclosed
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