SCHEMBL9314643

SCHEMBL9314643

C[C@@]1(Cc2ccccc2)OC[C@](C)(C(=O)c2ccccc2)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CNR2 P34972 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.33
GRIN2B Q13224 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL9004975 1.00 LMNA (0.38) LMNAOPRM1OPRL1CNR2NPSR1
SCHEMBL9004822 0.82 LMNA (0.37) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL9315381 0.82 LMNA (0.37) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL9718676 0.79 LMNA (0.46) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL9004751 0.79 LMNA (0.40) LMNAOPRM1OPRL1ALDH1A1MEN1
SCHEMBL9004904 0.74 LMNA (0.36) LMNAOPRM1OPRL1NPSR1ALDH1A1
SCHEMBL9004647 0.72 ALDH1A1 (0.36) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL9314611 0.72 ALDH1A1 (0.36) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL9718661 0.69 LMNA (0.40) LMNAALDH1A1MEN1KMT2AKDM4E
Acetic Acid SCHEMBL15956069 0.69 SIGMAR1 (0.44) LMNAOPRM1OPRL1ALDH1A1MEN1

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-5306600-A Oxygen-containing titanocenes, and the use thereof CIBA-GEIGY CORPORATION (US) 1994-04-26 US disclosed
US-5192642-A Photoinitiators for addition photopolymerization, coatings CIBA-GEIGY CORPORATION (US) 1993-03-09 US disclosed
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-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