SCHEMBL418568

SCHEMBL418568

Cc1cc(CC(O)CO)ccc1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.52
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
AKR1C3 P42330 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ELANE P08246 1/20 0.39
CYP3A4 P08684 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL27696374 0.82 ALDH1A1 (0.50) SRD5A2ALDH1A1PPARGPPARDPPARA
SCHEMBL28377134 0.80 SRD5A2 (0.57) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL11231215 0.79 SRD5A2 (0.59) SRD5A2KDM4EALDH1A1PPARGPPARD
SCHEMBL6854428 0.77 MEN1 (0.58) SRD5A2KDM4EALDH1A1AKR1C3MEN1
SCHEMBL27745360 0.75 SRD5A2 (0.56) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL11220023 0.74 SRD5A2 (0.54) SRD5A2ALDH1A1PPARGPPARAHPGD
SCHEMBL12337417 0.73 ALDH1A1 (0.61) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL27677908 0.73 AKR1C3 (0.47) ALDH1A1AKR1C3GAA
SCHEMBL4067662 0.72 BCL2 (0.47) KDM4EALDH1A1AKR1C3CYP2C8CYP2C9
SCHEMBL2518517 0.72 KDM4E (0.70) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8

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
EP-2403825-B1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD (GB) 2019-09-11 EP disclosed
US-9193678-B2 Chemical agents capable of forming covalent 3-D networks OXFORD ADVANCED SURFACES LTD (GB) 2015-11-24 US disclosed
US-20120021223-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD. (GB) 2012-01-26 US disclosed
EP-2403825-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS Oxford Advanced Surfaces Ltd (GB) 2012-01-11 EP disclosed
WO-2010100410-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD (GB) 2010-09-10 WO disclosed