SCHEMBL8948312

SCHEMBL8948312

COc1cc2c(cc1NCCO)OCO2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.46
POLB P06746 2/20 0.45
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL7807418 0.80 MAPT (0.41) MAPK9POLBKMT2AMEN1MAPT
SCHEMBL454595 0.79 TNF (0.44) POLBLMNAALDH1A1KDM4ETDP1
SCHEMBL2326696 0.77 BMPR1B (0.41) MAPK9POLBLMNAALDH1A1KMT2A
SCHEMBL8948290 0.76 LMNA (0.51) HPGDLMNAALDH1A1KMT2AMEN1
SCHEMBL21721813 0.75 ALDH1A1 (0.54) POLBHPGDALDH1A1KMT2AMEN1
SCHEMBL5458653 0.73 LMNA (0.64) POLBHPGDLMNACYP3A4ALDH1A1
SCHEMBL7809580 0.73 LMNA (0.35) MAPK9POLBHPGDLMNAALDH1A1
SCHEMBL5297733 0.72 LMNA (0.47) HPGDLMNAALDH1A1KMT2AMEN1
SCHEMBL28409276 0.72 RAD52 (0.55) POLBLMNACYP3A4ALDH1A1KMT2A
SCHEMBL3971880 0.72 HMGCR (0.44) HPGDCYP3A4ALDH1A1KMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4865617-A Dyeing compositions for keratinous fibres, especially for human hair, containing oxidation dye precursors and heterocyclic couplers L'OREAL (FR) 1989-09-12 US claimed
US-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US disclosed
US-5032137-A Hair dye L'OREAL (FR) 1991-07-16 US disclosed
US-4979961-A p-phenylenediamines, process for preparation thereof, dyeing composition containing them and corresponding dyeing process L'OREAL (FR) 1990-12-25 US disclosed
US-4865617-A Dyeing compositions for keratinous fibres, especially for human hair, containing oxidation dye precursors and heterocyclic couplers L'OREAL (FR) 1989-09-12 US disclosed