SCHEMBL8898907

SCHEMBL8898907

C=CCC(CC)(C(=O)c1ccc(OC)cc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 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
SCHEMBL8898339 0.93 PKM (0.49) PKMALDH1A1LMNAMMP1MMP9
SCHEMBL9063914 0.89 SMN1; SMN2 (0.34) PKMALDH1A1LMNAMMP1MMP9
SCHEMBL5675150 0.85 NR1I2 (0.43) ALDH1A1LMNAHTTNR1I2
SCHEMBL3424272 0.83 CYP1A2 (0.39) ALDH1A1LMNACYP1A2CYP2C19CES2
SCHEMBL11896656 0.83 MLYCD (0.32) ALDH1A1TSHR
SCHEMBL8899051 0.83 TSHR (0.41) ALDH1A1LMNAMAPTCYP1A2CYP2C19
SCHEMBL4417684 0.81 ELANE (0.31)
SCHEMBL8898609 0.81 ALDH1A1 (0.37) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL8896952 0.80 GSR (0.43) CYP11B1CYP11B2
SCHEMBL11076358 0.80 HDAC3 (0.45) ALDH1A1HPGDMAPTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629356-A PHOTOCURABLE COMPOSITION CONTAINING ETHYLENICALLY UNSATURATED PHOTOPOLYMERIZABLE COMPOUND AND THE AMINOACETOPHENONE CIBA GEIGY CORPORATION (US) 1997-05-13 US disclosed
US-5554663-A α-aminoacetophenones as photoinitiators CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed
US-5534629-A PHOTOPOLYMERIZATION OF PIGMENTED SYSTEMS, INKS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed
EP-0284561-B1 ALPHA-AMINOACETOPHENONES AS PHOTO INITIATORS CIBA-GEIGY AG (CH) 1993-05-12 EP disclosed
US-5077402-A For photocuring pigmented systems; printing inks, lacquers CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed
EP-0284561-A2 Alpha-aminoacetophenones as photo initiators CIBA-GEIGY AG (CH) 1988-09-28 EP disclosed