SCHEMBL30018920

SCHEMBL30018920

CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(CO)C1CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.55
▸ CYP3A4 P08684 5/20 0.54
▸ ALOX15 P16050 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ POLA1 P09884 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41

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
SCHEMBL26830176 1.00 KARS1 (0.55) KARS1CYP3A4ALOX15MAPTUSP2
SCHEMBL3892013 0.86 PTGS1 (0.45) KARS1CYP3A4ALOX15MAPTUSP2
SCHEMBL21683296 0.83 CYP3A4 (0.48) KARS1CYP3A4ALOX15MAPTUSP2
SCHEMBL151741 0.81 KARS1 (0.56) KARS1CYP3A4ALOX15MAPTUSP2
SCHEMBL151743 0.81 KARS1 (0.56) KARS1CYP3A4ALOX15MAPTUSP2
SCHEMBL151742 0.81 KARS1 (0.56) KARS1CYP3A4ALOX15MAPTUSP2
SCHEMBL13570262 0.78 CYP3A4 (0.42) KARS1CYP3A4ALOX15MAPTUSP2
SCHEMBL15072076 0.74 CYP3A4 (0.41) KARS1CYP3A4ALOX15MAPTUSP2
SCHEMBL24575142 0.73 KARS1 (0.49) KARS1CYP3A4ALOX15MAPTALDH1A1
Pomiferin A SCHEMBL1210740 0.71 KARS1 (1.00) KARS1CYP3A4ALOX15MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124899-A1 METHODS FOR PRODUCTION OF NOVEL DITERPENE SCAFFOLDS UNIV MICHIGAN STATE (US) 2024-04-18 — — US disclosed
US-11827915-B2 Method for production of novel diterpene scaffolds BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-11-28 — — US disclosed
US-20220372526-A1 METHOD FOR PRODUCTION OF NOVEL DITERPENE SCAFFOLDS UNITED STATES DEPARTMENT OF ENERGY 2022-11-24 — — US disclosed
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