SCHEMBL8205355

SCHEMBL8205355

CC(C)Cc1ccc(-c2cc(C(=O)O)c(F)cc2C(=O)O)cc1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
ACMSD Q8TDX5 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DHFR P00374 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
CXCL12 P48061 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6852154 0.81 SMN1; SMN2 (0.38) KDM4EMEN1USP2ALDH1A1CA1
SCHEMBL6859341 0.73 GCGR (0.34) SGK1CAMKK2S1PR1LTB4R2LTB4R
SCHEMBL15592320 0.70 KEAP1 (0.49) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL6859299 0.68 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL6859347 0.68 DPP4 (0.32)
SCHEMBL3128273 0.67 EPHX2 (0.50) KDM4EMEN1LMNAHPGDKMT2A
SCHEMBL15592319 0.67 AKR1C2 (0.48) LMNAALBSLC22A6AKR1C2AKR1C1
SCHEMBL7110652 0.67 ADRA2A (0.36) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL5704000 0.67 DCLRE1B (0.62) SGK1CAMKK2ACMSDDHFRADRB3
SCHEMBL1713733 0.66 KDM4E (0.54) ACMSDKDM4EMEN1USP2ALDH1A1

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
EP-1029019-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS Axiva GmbH (DE) 2000-08-23 EP disclosed
WO-1999024526-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS AXIVA GMBH (DE) 1999-05-20 WO disclosed