SCHEMBL28617784

SCHEMBL28617784

CC(C)(O)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 1.00
▸ POLB P06746 1/20 1.00
▸ APEX1 P27695 1/20 1.00
▸ RXRA P19793 1/20 0.67
▸ CCNE1 P24864 1/20 0.67
▸ CDK2 P24941 1/20 0.67
▸ RXRB P28702 1/20 0.67
▸ RXRG P48443 1/20 0.67
▸ PDE4D Q08499 1/20 0.66
▸ ESR1 P03372 1/20 0.65
▸ ESR2 Q92731 1/20 0.65
▸ POLA1 P09884 4/20 0.60
▸ NR1I2 O75469 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ SOD1 P00441 1/20 0.55
▸ LMNA P02545 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ NR1H2 P55055 5/20 0.53
▸ NR1H3 Q13133 5/20 0.53
▸ PTPN1 P18031 1/20 0.52

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
SCHEMBL15588782 1.00 KARS1 (1.00) KARS1POLBAPEX1RXRACCNE1
SCHEMBL19034284 0.84 KARS1 (0.71) KARS1POLBAPEX1RXRACCNE1
SCHEMBL15588775 0.83 SOD1 (0.77) KARS1POLBAPEX1RXRACCNE1
SCHEMBL14696167 0.83 SOD1 (0.77) KARS1POLBAPEX1RXRACCNE1
SCHEMBL7024094 0.83 SOD1 (0.77) KARS1POLBAPEX1RXRACCNE1
SCHEMBL5061925 0.82 KARS1 (0.71) KARS1POLBAPEX1RXRACCNE1
SCHEMBL17927225 0.82 KARS1 (0.71) KARS1POLBAPEX1RXRACCNE1
SCHEMBL31255935 0.82 PDE4D (0.85) KARS1POLBAPEX1RXRACCNE1
Dehydroabietic Acid SCHEMBL14653170 0.81 KARS1 (1.00) KARS1POLBAPEX1RXRACCNE1
Dehydroabietic Acid SCHEMBL18019015 0.81 KARS1 (1.00) KARS1POLBAPEX1RXRACCNE1

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
CN-113265381-B Separated CYP450 protein, coding gene thereof and application thereof 首都医科大学 2022-07-08 — — CN disclosed
CN-113265381-A Separated CYP450 protein, coding gene thereof and application thereof 首都医科大学 2021-08-17 — — CN disclosed
Send feedback