SCHEMBL183053

SCHEMBL183053

C=C([C]=O)CCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNA3 P22001 1/20 0.48
TSHR P16473 1/20 0.46
PKM P14618 1/20 0.46
THRB P10828 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
PARP10 Q53GL7 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.43
ALOX5 P09917 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL5497404 0.81 ALOX15 (0.55) CYP2C9CYP2C19RECQLALDH1A1KCNA3
SCHEMBL27469008 0.78 KCNA3 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL44088 0.76 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL11096752 0.75 KCNA3 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL1835409 0.75 KCNA3 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL19890286 0.75 KCNA3 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL3293084 0.75 KCNA3 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL10794895 0.74 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL38674 0.74 L3MBTL1 (0.68) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL2357301 0.73 KCNA3 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19RECQL

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-3523383-A1 LED CURABLE COATINGS FOR FLOORING COMPRISING DIAMOND PARTICLES AND METHODS FOR MAKING THE SAME AFI Licensing LLC (US) 2019-08-14 EP disclosed
WO-2018067650-A1 LED CURABLE COATINGS FOR FLOORING COMPRISING DIAMOND PARTICLES AND METHODS FOR MAKING THE SAME AFI LICENSING LLC (US) 2018-04-12 WO disclosed
EP-2270108-B1 Process for producing ink and relevant to the process, ink, printed matter and molding TEIKOKU PRINTING INK MFG (JP) 2012-01-04 EP disclosed