SCHEMBL17927239

SCHEMBL17927239

CON=C1CC2[C@](C)(C(=O)O)CCC[C@]2(C)c2cc(Cl)c(C(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ KARS1 Q15046 2/20 0.42
▸ RXRA P19793 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ POLA1 P09884 4/20 0.40
▸ PDE4D Q08499 2/20 0.36
▸ ABHD16A O95870 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ NR1H2 P55055 1/20 0.35

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
SCHEMBL17927238 1.00 NR1I2 (0.43) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927190 0.89 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927192 0.89 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL20366995 0.89 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927200 0.89 NR1I2 (0.43) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927201 0.89 NR1I2 (0.43) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927279 0.89 NR1I2 (0.43) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927277 0.89 NR1I2 (0.43) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL20360585 0.89 CYP3A4 (0.43) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL20360586 0.89 CYP3A4 (0.43) NR1I2OPRK1KARS1RXRACCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3245184-A1 DEHYDROABIETIC ACID (DHAA) DERIVATIVES FOR USE AS ION CHANNEL OPENERS Elinder, Fredrik (SE) 2017-11-22 — — EP claimed
WO-2016114707-A1 DEHYDROABIETIC ACID (DHAA) DERIVATIVES FOR USE AS ION CHANNEL OPENERS ELINDER FREDRIK (SE) 2016-07-21 — — WO claimed
EP-3245184-A1 DEHYDROABIETIC ACID (DHAA) DERIVATIVES FOR USE AS ION CHANNEL OPENERS Elinder, Fredrik (SE) 2017-11-22 — — EP disclosed
WO-2016114707-A1 DEHYDROABIETIC ACID (DHAA) DERIVATIVES FOR USE AS ION CHANNEL OPENERS ELINDER FREDRIK (SE) 2016-07-21 — — WO disclosed
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