SCHEMBL31674431

SCHEMBL31674431

CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 1.00
▸ ESR2 Q92731 1/20 1.00
▸ KARS1 Q15046 2/20 0.65
▸ POLB P06746 1/20 0.65
▸ APEX1 P27695 1/20 0.65
▸ CYP3A4 P08684 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ AR P10275 2/20 0.45
▸ RXRA P19793 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ PDE4D Q08499 1/20 0.43
▸ POLA1 P09884 4/20 0.43
▸ NR1I2 O75469 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ NR1H2 P55055 2/20 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
SCHEMBL15588776 1.00 ESR1 (1.00) ESR1ESR2KARS1POLBAPEX1
SCHEMBL30819177 0.85 ESR1 (0.74) ESR1ESR2KARS1POLBAPEX1
SCHEMBL3212768 0.81 CYP3A4 (0.78) ESR1ESR2KARS1POLBAPEX1
SCHEMBL20364223 0.81 CYP3A4 (0.78) ESR1ESR2KARS1POLBAPEX1
SCHEMBL25381713 0.79 ESR1 (0.66) ESR1ESR2KARS1POLBAPEX1
SCHEMBL28617784 0.79 KARS1 (1.00) ESR1ESR2KARS1POLBAPEX1
SCHEMBL15588782 0.79 KARS1 (1.00) ESR1ESR2KARS1POLBAPEX1
SCHEMBL17934301 0.72 ESR1 (0.57) ESR1ESR2KARS1POLBAPEX1
SCHEMBL17927217 0.72 ESR1 (0.57) ESR1ESR2KARS1POLBAPEX1
SCHEMBL17927256 0.72 ESR1 (0.57) ESR1ESR2KARS1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391807-B2 Extraction of valuable components from bark TEKNOLOGIAN TUTKIMUSKESKUS VTT OY (FI) 2025-08-19 — — US disclosed
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