SCHEMBL9793604

SCHEMBL9793604

C[C@@]1(C(=O)c2ccccc2)CO[C@H](c2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNA4 P22459 1/20 0.40
KCNA1 Q09470 1/20 0.40
KCNAB1 Q14722 1/20 0.40
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
EPHX1 P07099 1/20 0.36
PARP1 P09874 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL9004824 1.00 KMT2A (0.46) KMT2AMEN1CYP2C19MAPK1SMN1; SMN2
SCHEMBL9004736 0.82 ALDH1A1 (0.37) KMT2AMEN1CYP2C19MAPK1SMN1; SMN2
SCHEMBL9316339 0.82 ALDH1A1 (0.37) KMT2AMEN1CYP2C19MAPK1SMN1; SMN2
SCHEMBL11252173 0.81 LMNA (0.38) KMT2AMEN1CYP2C19MAPK1SMN1; SMN2
SCHEMBL10528850 0.78 CYP2C19 (0.45) KMT2AMEN1CYP2C19MAPK1SMN1; SMN2
SCHEMBL9718676 0.75 LMNA (0.46) KMT2AMEN1CYP2C19NPC1RAB9A
SCHEMBL13244703 0.74 MAPK1 (0.43) KMT2AMEN1CYP2C19MAPK1SMN1; SMN2
SCHEMBL9314659 0.72 CES2 (0.38) ALDH1A1
SCHEMBL1847228 0.72 MAPK1 (0.73) KMT2AMEN1CYP2C19MAPK1SMN1; SMN2
SCHEMBL11268200 0.71 MAPK1 (0.58) KMT2AMEN1CYP2C19MAPK1SMN1; SMN2

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-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed
US-5034307-A Photopolymerization of ethylenically unsaturated substrates CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
US-4970136-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1990-11-13 US disclosed
US-4963470-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1990-10-16 US disclosed
US-4857654-A Titanocenes and their use CIBA-GEIGY CORPORATION (US) 1989-08-15 US disclosed