SCHEMBL11501716

SCHEMBL11501716

CC1CCC/C(=C\c2ccc3c(c2)OCO3)C1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.43
DYRK2 Q92630 5/20 0.43
DYRK1A Q13627 4/20 0.43
DYRK1B Q9Y463 4/20 0.43
HSD17B10 Q99714 1/20 0.42
MAOB P27338 3/20 0.42
HPGD P15428 4/20 0.41

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
SCHEMBL11501717 1.00 ALDH1A1 (0.48) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL11501743 0.75 ALDH1A1 (0.44) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL11501744 0.75 ALDH1A1 (0.44) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL11501952 0.71 ALDH1A1 (0.65) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL11501954 0.71 ALDH1A1 (0.65) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL10738197 0.70 ALDH1A1 (0.46) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL9146862 0.67 CYP3A4 (0.59) ALDH1A1MAPTTDP1KMT2ACYP3A4
SCHEMBL28027871 0.64 ALDH1A1 (0.64) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL1987675 0.64 CYP3A4 (0.71) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL31432619 0.64 MAPT (1.00) ALDH1A1MAPTTDP1KMT2AMEN1

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-4177271-A ANTIDEPRESSANTS, HYPNOTICS UNICLER (FR) 1979-12-04 US claimed
US-4177271-A ANTIDEPRESSANTS, HYPNOTICS UNICLER (FR) 1979-12-04 US disclosed