SCHEMBL4731096

SCHEMBL4731096

CC(C)(C)C(=O)C(C(=O)O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.52
CPT2 P23786 2/20 0.52
HSPD1 P10809 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
TSHR P16473 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4733497 0.85 CPT2 (0.48) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2190166 0.83 ACLY (0.64) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2406240 0.81 CPT2 (0.48) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL4731420 0.81 CPT2 (0.48) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL284430 0.80 ACLY (0.55) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL28860400 0.80 ACLY (0.55) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL4731893 0.79 HSPD1 (0.46) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL4734046 0.78 CPT2 (0.44) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL20472740 0.77 ACLY (0.52) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL632608 0.76 HSPD1 (0.51) ACLYCPT2HSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059328-A1 One-component polyurethane foam compositions with improved curing behaviour HILTI Aktiengesellschaft (LI) 2000-12-13 EP claimed
EP-0734514-B1 TISSUE SAMPLE PROCESSING ESTI CHEM A S (DK) 1998-11-11 EP claimed
EP-3791853-B1 SURFACE-MODIFIED EMBOSSED EFFECT PIGMENTS ECKART GMBH (DE) 2025-06-25 EP disclosed
EP-3791853-A1 SURFACE-MODIFIED EMBOSSED EFFECT PIGMENTS ECKART GmbH (DE) 2021-03-17 EP disclosed
EP-3442491-B1 SURFACE MODIFIED EFFECT PIGMENT AND NAIL VARNISH COMPOSITION ECKART GMBH (DE) 2021-02-24 EP disclosed
EP-3738577-A1 SURFACE-MODIFIED EFFECT PIGMENTS ECKART GmbH (DE) 2020-11-18 EP disclosed
EP-3624755-A1 NAIL VARNISH COMPOSITION CONTAINING EMBOSSED EFFECT PIGMENTS AND SURFACE-MODIFIED EMBOSSED EFFECT PIGMENTS ECKART GmbH (DE) 2020-03-25 EP disclosed
WO-2019077021-A1 NAIL VARNISH COMPOSITION CONTAINING EMBOSSED EFFECT PIGMENTS AND SURFACE-MODIFIED EMBOSSED EFFECT PIGMENTS ECKART GMBH (DE) 2019-04-25 WO disclosed
EP-3442491-A1 SURFACE-MODIFIED EFFECT PIGMENT AND NAIL VARNISH COMPOSITION ECKART GmbH (DE) 2019-02-20 EP disclosed
WO-2017178610-A1 SURFACE-MODIFIED EFFECT PIGMENT AND NAIL VARNISH COMPOSITION ECKART GMBH (DE) 2017-10-19 WO disclosed
WO-2008043654-A2 BLOND CLEAR TREATMENT HENKEL AG & CO. KGAA (DE) 2008-04-17 WO disclosed
EP-1059328-A1 One-component polyurethane foam compositions with improved curing behaviour HILTI Aktiengesellschaft (LI) 2000-12-13 EP disclosed