SCHEMBL9712212

SCHEMBL9712212

C=C(CCCCCC(C)C)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ PHF8 Q9UPP1 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ PTPN1 P18031 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.36
▸ CA1 P00915 2/20 0.34
▸ TSHR P16473 3/20 0.34
▸ DEGS1 O15121 1/20 0.34
▸ BLM P54132 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL9792367 0.88 LMNA (0.39) KDM4CKDM4APHF8KDM2ATRPV1
SCHEMBL4255858 0.88 LMNA (0.39) KDM4CKDM4APHF8KDM2ATRPV1
SCHEMBL28805255 0.82 KDM4C (0.42) KDM4CKDM4APHF8KDM2APTPN1
SCHEMBL9181705 0.79 LMNA (0.36) PTPN1CA1BLMLMNAMEN1
SCHEMBL28113895 0.78 PTPN1 (0.39) KDM4CKDM4APHF8KDM2APTPN1
SCHEMBL4783263 0.78 CES2 (0.50) PTPN1HSD17B10TDP1TSHRMEN1
SCHEMBL218025 0.78 CES2 (0.50) PTPN1HSD17B10TDP1TSHRMEN1
SCHEMBL7024041 0.78 CES2 (0.50) PTPN1HSD17B10TDP1TSHRMEN1
SCHEMBL5318003 0.78 CES2 (0.50) PTPN1HSD17B10TDP1TSHRMEN1
SCHEMBL2137555 0.77 KDM4C (0.41) KDM4CKDM4APHF8KDM2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992009199-A1 METHOD OF ATTRACTING MALE HESSIAN FLIES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 1992-06-11 — — WO disclosed
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