SCHEMBL9017161

SCHEMBL9017161

C=CC(=C)CC/C=C(\C)CCCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
TSHR P16473 1/20 0.53
PTPN1 P18031 2/20 0.49
SQLE Q14534 3/20 0.37
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
SNCA P37840 1/20 0.34
PDE3A Q14432 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
SCHEMBL9017166 1.00 KDM1A (0.55) KDM1ATSHRPTPN1SQLEKMT2A
SCHEMBL9020038 0.98 KDM1A (0.58) KDM1ATSHRPTPN1SQLEKMT2A
SCHEMBL9017099 0.94 PTPN1 (0.59) KDM1ATSHRPTPN1KMT2APTGS1
SCHEMBL9017101 0.94 PTPN1 (0.59) KDM1ATSHRPTPN1KMT2APTGS1
SCHEMBL9709473 0.85 TSHR (0.49) KDM1ATSHRPTPN1SQLEKMT2A
SCHEMBL9709470 0.85 TSHR (0.49) KDM1ATSHRPTPN1SQLEKMT2A
SCHEMBL18879314 0.84 KDM1A (0.60) KDM1APTPN1SQLEKMT2APTGS1
SCHEMBL11216203 0.84 KDM1A (0.60) KDM1APTPN1SQLEKMT2APTGS1
SCHEMBL10922177 0.83 TSHR (0.59) KDM1ATSHRPTPN1SQLEKMT2A
SCHEMBL10926749 0.83 TSHR (0.59) KDM1ATSHRPTPN1SQLEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697187-B1 OLEFINS AND METHODS FOR MAKING THE SAME AMYRIS INC (US) 2020-04-22 EP disclosed
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
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