SCHEMBL10528811

SCHEMBL10528811

CC1(C)OCC(C(=O)c2ccccc2)(c2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
GRIN2B Q13224 1/20 0.33
BRD4 O60885 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
SCHEMBL11611329 0.86 LMNA (0.36) GLSLMNACYP1A2CES2CES1
SCHEMBL14453309 0.83 LMNA (0.35) LMNACES2CES1TSHROPRM1
SCHEMBL11491382 0.82 LMNA (0.38) GLSLMNACYP1A2CES2CES1
SCHEMBL8765171 0.81 LMNA (0.41) LMNACES2CES1TSHROPRM1
SCHEMBL9718669 0.81 AKR1C1 (0.39) LMNACYP1A2SLC6A2SLC6A3TSHR
SCHEMBL11611109 0.79 NR4A1 (0.43) GLSLMNACYP1A2TSHRKMT2A
SCHEMBL11612974 0.79 RAB9A (0.38) LMNACYP1A2SLC6A2SLC6A3TSHR
SCHEMBL9004751 0.79 LMNA (0.40) LMNACES2CES1CHRNB2SLC6A2
SCHEMBL6326779 0.74 LMNA (0.36) LMNACES2CES1TSHROPRM1
SCHEMBL10414654 0.74 CES2 (0.47) LMNACES2CES1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221010-B1 PHOTO-INITIATOR SYSTEMS FOR FREE-RADICAL POLYMERISATIONS CIBA-GEIGY AG (CH) 1989-04-26 EP disclosed
EP-0221010-A1 Photo-initiator systems for free-radical polymerisations CIBA-GEIGY AG (CH) 1987-05-06 EP disclosed
US-4229274-A PHOTOINITIATOR, PHOTOSENSITIZER, QUENCHER, AND COMPOUNDS CONTAINING ACRYLYLOXY GROUPS PPG INDUSTRIES, INC. (US) 1980-10-21 US disclosed
US-4072694-A Dioxolane derivatives and use as photoinitiators LEE PHARMACEUTICALS (US) 1978-02-07 US disclosed