SCHEMBL10941467

SCHEMBL10941467

CC(C)(O)C(=O)c1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.64
ELANE P08246 6/20 0.53
PARP10 Q53GL7 1/20 0.51
POLB P06746 1/20 0.50
BCL2 P10415 2/20 0.49
MCL1 Q07820 2/20 0.49
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL29206740 0.97 SRD5A2 (0.59) SRD5A2ELANEPARP10POLB
SCHEMBL1554442 0.95 PARP10 (0.56) SRD5A2PARP10POLBPDK1PDK2
SCHEMBL20612798 0.88 SRD5A2 (0.66) SRD5A2ELANEPARP10POLBBCL2
SCHEMBL195348 0.88 HPGD (0.56) SRD5A2ELANEPARP10
SCHEMBL10941702 0.86 ALDH1A1 (0.58) SRD5A2ELANEPDK1PDK2PDK3
Formaldehyde SCHEMBL28801121 0.84 HPGD (0.52) SRD5A2ELANEPARP10
Benzophenone SCHEMBL22829712 0.84 ALDH1A1 (0.61) SRD5A2ELANEPDK1PDK2PDK3
SCHEMBL2866068 0.84 SRD5A2 (0.88) SRD5A2ELANEPARP10POLB
SCHEMBL9536469 0.84 SRD5A2 (0.88) SRD5A2ELANEPARP10POLB
SCHEMBL1082112 0.84 SRD5A2 (0.88) SRD5A2ELANEPARP10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 US disclosed