SCHEMBL24575142

SCHEMBL24575142

CCC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C(=O)O)C1CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.49
▸ RXRA P19793 1/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ RXRB P28702 1/20 0.49
▸ RXRG P48443 1/20 0.49
▸ POLB P06746 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ POLA1 P09884 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42

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
SCHEMBL151741 0.89 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB
SCHEMBL151743 0.89 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB
SCHEMBL151742 0.89 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB
SCHEMBL3892013 0.74 PTGS1 (0.45) KARS1RXRACCNE1CDK2RXRB
SCHEMBL26830176 0.73 KARS1 (0.55) KARS1POLA1ALOX15LMNACYP3A4
SCHEMBL30018920 0.73 KARS1 (0.55) KARS1POLA1ALOX15LMNACYP3A4
SCHEMBL15072076 0.72 CYP3A4 (0.41) KARS1RXRACCNE1CDK2RXRB
SCHEMBL21683296 0.71 CYP3A4 (0.48) KARS1ALOX15LMNACYP3A4PDK1
SCHEMBL9471626 0.70 KARS1 (0.50) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20077216 0.69 KARS1 (0.52) KARS1RXRACCNE1CDK2RXRB

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
EP-4019000-A1 TREATMENT COMPOSITIONS COMPRISING CERTAIN PLANT ROSIN MATERIALS The Procter & Gamble Company (US) 2022-06-29 — — EP disclosed
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