SCHEMBL9692827

SCHEMBL9692827

COC(=O)[C@]1(C(O)O)CCC[C@@]2(C)C1CC=C1C=C(C(C)C)CC[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ CYP3A4 P08684 3/20 0.66
▸ MAPT P10636 3/20 0.66
▸ PDK1 Q15118 2/20 0.66
▸ PDK2 Q15119 2/20 0.66
▸ PDK3 Q15120 2/20 0.66
▸ PDK4 Q16654 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ SLCO1B3 Q9NPD5 1/20 0.66
▸ SLCO1B1 Q9Y6L6 1/20 0.66
▸ GABRA1 P14867 1/20 0.66
▸ GABRB2 P47870 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ MAPK1 P28482 2/20 0.61
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51

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
SCHEMBL4587511 0.88 HSD17B10 (0.76) ALOX15HSD17B10ALDH1A1CYP3A4MAPT
Methyl Abietate SCHEMBL1527667 0.87 ALOX15 (0.78) ALOX15HSD17B10ALDH1A1CYP3A4MAPT
Methyl Abietate SCHEMBL316226 0.87 ALOX15 (0.78) ALOX15HSD17B10ALDH1A1CYP3A4MAPT
Methyl Abietate SCHEMBL316227 0.87 ALOX15 (0.78) ALOX15HSD17B10ALDH1A1CYP3A4MAPT
Methyl Abietate SCHEMBL316225 0.87 ALOX15 (0.78) ALOX15HSD17B10ALDH1A1CYP3A4MAPT
SCHEMBL16520548 0.82 HSD17B10 (0.80) ALOX15HSD17B10ALDH1A1CYP3A4MAPT
SCHEMBL570992 0.82 HSD17B10 (0.80) ALOX15HSD17B10ALDH1A1CYP3A4MAPT
SCHEMBL570993 0.82 HSD17B10 (0.80) ALOX15HSD17B10ALDH1A1CYP3A4MAPT
SCHEMBL19696487 0.81 ALOX15 (0.69) ALOX15HSD17B10ALDH1A1CYP3A4MAPT
SCHEMBL18663761 0.81 ALOX15 (0.69) ALOX15HSD17B10ALDH1A1CYP3A4MAPT

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-5171478-A Doping with organic acids or salts; electroconductive ALLIED-SIGNAL INC. (US) 1992-12-15 — — US disclosed
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