SCHEMBL9017084

SCHEMBL9017084

C=C(C)C(Cl)CC/C(C)=C/CC/C(C)=C/COC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
PTPN1 P18031 1/20 0.46
FNTA P49354 4/20 0.41
FNTB P49356 3/20 0.41
PGGT1B P53609 2/20 0.40
TRPV1 Q8NER1 2/20 0.37
CBLB Q13191 1/20 0.37

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
SCHEMBL7923664 0.94 ALOX15 (0.51) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL9017122 0.94 ALOX15 (0.51) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL7923667 0.94 ALOX15 (0.51) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL10564027 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL10564035 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL9580517 0.82 KDM1A (0.41) FNTAFNTBPGGT1BCBLB
SCHEMBL9580515 0.82 KDM1A (0.41) FNTAFNTBPGGT1BCBLB
SCHEMBL7040343 0.80 FNTA (0.41) FNTAFNTB
SCHEMBL7040341 0.80 FNTA (0.41) FNTAFNTB
SCHEMBL10753905 0.78 KDM1A (0.39) FNTAFNTBPGGT1BCBLB

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