SCHEMBL9017101

SCHEMBL9017101

C=CC(=C)CCC=C(C)CCCC(C)CCCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.59
KDM1A O60341 1/20 0.50
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
SNCA P37840 1/20 0.41
PDE3A Q14432 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.38
PTPN2 P17706 1/20 0.37
CDC25B P30305 1/20 0.37
BLM P54132 1/20 0.34

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
SCHEMBL9017099 1.00 PTPN1 (0.59) PTPN1KDM1ATSHRPTGS1PDE4A
SCHEMBL9017166 0.94 KDM1A (0.55) PTPN1KDM1ATSHRPTGS1PDE4A
SCHEMBL9017161 0.94 KDM1A (0.55) PTPN1KDM1ATSHRPTGS1PDE4A
SCHEMBL9020038 0.92 KDM1A (0.58) PTPN1KDM1ATSHRKMT2A
SCHEMBL9709473 0.89 TSHR (0.49) PTPN1KDM1ATSHRPTGS1PDE4A
SCHEMBL9709470 0.89 TSHR (0.49) PTPN1KDM1ATSHRPTGS1PDE4A
SCHEMBL10922177 0.87 TSHR (0.59) PTPN1KDM1ATSHRALOX15KMT2A
SCHEMBL10926749 0.87 TSHR (0.59) PTPN1KDM1ATSHRALOX15KMT2A
SCHEMBL5949551 0.84 PTPN1 (0.50) PTPN1KDM1ATSHRPTGS1PDE4A
SCHEMBL19638681 0.84 PTPN1 (0.50) PTPN1KDM1ATSHRPTGS1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4533751-A Preparation of 1,3-dienamines from myrcene and substituted myrcene SCM CORPORATION (US) 1985-08-06 US claimed
US-4292454-A INTERMEDIATES FOR VITAMIN E SCM CORPORATION (US) 1981-09-29 US claimed
EP-0414106-B1 Process for the preparation of terpenes EISAI CO LTD (JP) 1996-03-27 EP disclosed
US-5175346-A Catalyst mixture of cuprous chloride and quaternary ammonium salt RHONE-POULENC SANTE (FR) 1992-12-29 US 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
US-4665244-A Chlorinated derivatives of hexadecene, their preparation and their use in the synthesis of vitamin E RHONE-POULENC SANTE (FR) 1987-05-12 US disclosed
US-4636570-A Tocopherol derivatives useful in the synthesis of vitamin E and their preparation RHONE-POULENC SANTE (FR) 1987-01-13 US disclosed
US-4533751-A Preparation of 1,3-dienamines from myrcene and substituted myrcene SCM CORPORATION (US) 1985-08-06 US disclosed
US-4293497-A ALKYLATION CATALYSTS, VIATMIN E SCM CORPORATION (US) 1981-10-06 US disclosed
US-4292454-A INTERMEDIATES FOR VITAMIN E SCM CORPORATION (US) 1981-09-29 US disclosed
US-4292459-A Coupling reaction involving a Grignard and allylic halide SCM CORPORATION (US) 1981-09-29 US disclosed
US-4228313-A TO PREPARE A REARRANGED UNSATURATED HYDROCARBON SCM CORPORATION (US) 1980-10-14 US disclosed
US-4221742-A Coupling reaction involving a Grignard and allylic halide SCM CORPORATION (US) 1980-09-09 US disclosed
US-4168271-A Unsaturated vitamin E intermediates--dehydro and didehydro α-tocopherols SCM CORPORATION (US) 1979-09-18 US disclosed