SCHEMBL9017212

SCHEMBL9017212

C=CC(=C)CCC=C(C)CC/C=C(/C)CCC=C(C)C

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.83
KMT2A Q03164 3/20 0.64
ALOX15 P16050 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 1/20 0.57
UGT1A1 P22309 1/20 0.57
SQLE Q14534 7/20 0.55
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL27857945 1.00 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL30008712 1.00 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL83306 1.00 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL11360694 1.00 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL16820318 1.00 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL83308 1.00 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
SCHEMBL11360697 1.00 TSHR (0.83) TSHRKMT2AALOX15MAPTMEN1
Myrcene SCHEMBL21622 0.91 TSHR (1.00) TSHRKMT2AALOX15MAPTMEN1
Myrcene SCHEMBL1867602 0.91 TSHR (1.00) TSHRKMT2AALOX15MAPTMEN1
Myrcene SCHEMBL3987529 0.91 TSHR (1.00) TSHRKMT2AALOX15MAPTMEN1

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
EP-0414106-B1 Process for the preparation of terpenes EISAI CO LTD (JP) 1996-03-27 EP disclosed
US-5073659-A Alkylation, Grignard reagent, zinc chloride catalyst and coppe r compound EISAI CO., LTD. (JP) 1991-12-17 US disclosed
EP-0414106-A2 Process for the preparation of terpenes Eisai Co., Ltd. (JP) 1991-02-27 EP disclosed