SCHEMBL12062578

SCHEMBL12062578

CC[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
TSHR P16473 2/20 0.57
CYP2C19 P33261 2/20 0.57
TRPV1 Q8NER1 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
TRPA1 O75762 1/20 0.40
PTPN1 P18031 4/20 0.37
IDO1 P14902 1/20 0.36
CYP19A1 P11511 1/20 0.35
PLA2G2A P14555 1/20 0.34
UGT2B7 P16662 3/20 0.34
PTPN2 P17706 1/20 0.34
ENTPD5 O75356 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL10891896 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25666851 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL27017541 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19958385 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15886578 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL385019 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9880760 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL10101191 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15874674 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL27757238 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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
US-8084237-B2 Microorganism and method for producing dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan intermediate using the novel microorganism KAO CORPORATION (JP) 2011-12-27 US disclosed
US-20100233766-A1 Novel Microorganism and Method for Producing Dodecahydro-3a,6,6,9a-Tetramethylnaphtho[2,1-b]Furan Intermediate Using the Novel Microorganism KAO CORPORATION (JP) 2010-09-16 US disclosed