SCHEMBL20612798

SCHEMBL20612798

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.66
ELANE P08246 6/20 0.58
PARP10 Q53GL7 1/20 0.53
POLB P06746 1/20 0.51
BCL2 P10415 2/20 0.50
MCL1 Q07820 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL24799711 0.95 PARP10 (0.58) SRD5A2ELANEPARP10POLBMEN1
SCHEMBL8357803 0.95 PARP10 (0.58) SRD5A2ELANEPARP10POLBMEN1
SCHEMBL10941467 0.88 SRD5A2 (0.64) SRD5A2ELANEPARP10POLBBCL2
SCHEMBL24813408 0.87 HPGD (0.58) SRD5A2ELANEPARP10MEN1NPC1
SCHEMBL17479953 0.85 ALDH1A1 (0.61) SRD5A2ELANEMEN1NPC1ALDH1A1
SCHEMBL1082112 0.85 SRD5A2 (0.88) SRD5A2ELANEPARP10POLBALDH1A1
SCHEMBL9536469 0.85 SRD5A2 (0.88) SRD5A2ELANEPARP10POLBALDH1A1
SCHEMBL235530 0.85 SRD5A2 (0.88) SRD5A2ELANEPARP10POLBALDH1A1
SCHEMBL2866068 0.85 SRD5A2 (0.88) SRD5A2ELANEPARP10POLBALDH1A1
SCHEMBL13599782 0.85 SRD5A2 (0.88) SRD5A2ELANEPARP10POLBALDH1A1

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
EP-3717237-B1 USE OF PEKK FOR PRODUCING PARTS WITH LOW GAS PERMEABILITY ARKEMA FRANCE (FR) 2023-11-29 EP disclosed
EP-3421543-B1 FILM MITSUBISHI CHEM CORP (JP) 2020-05-13 EP disclosed
EP-3421543-A1 FILM Mitsubishi Chemical Corporation (JP) 2019-01-02 EP disclosed