SCHEMBL3673214

SCHEMBL3673214

Cc1cc(C(=O)C(C)(C)O)ccc1CN(C)Cc1ccc(C(=O)C(C)(C)O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
PYCR1 P32322 3/20 0.39
LMNA P02545 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
MLYCD O95822 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL3671198 0.96 LMNA (0.37) EPHX2PYCR1LMNANR1H4MLYCD
SCHEMBL3669475 0.82 ACE2 (0.43) EPHX2LMNANR1H4MLYCDALDH1A1
SCHEMBL3742558 0.79 S1PR1 (0.40) EPHX2LMNANR1H4ALDH1A1MAPT
SCHEMBL3671777 0.79 ALDH1A1 (0.46) MLYCDCA2ALDH1A1POLBMAPT
SCHEMBL3675015 0.77 S1PR1 (0.39) EPHX2NR1H4MLYCDCA2MAOB
SCHEMBL7640361 0.76 SMN1; SMN2 (0.50) LMNANR1H4ALDH1A1POLBMAPT
SCHEMBL3676655 0.75 ALDH1A1 (0.43) CA2ALDH1A1POLBMAPTCYP1A2
SCHEMBL3672416 0.75 MRGPRX4 (0.38) EPHX2LMNANR1H4ALDH1A1MAPT
SCHEMBL3673792 0.74 ALDH1A1 (0.42) CA2ALDH1A1POLBMAPTCYP1A2
SCHEMBL24401195 0.73 POLB (0.49) PYCR1LMNAALDH1A1POLBMAPT

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
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed