SCHEMBL27990232

SCHEMBL27990232

COC(=O)CC(C)CCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.42
LMNA P02545 2/20 0.41
KDM4C Q9H3R0 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
GSTK1 Q9Y2Q3 2/20 0.40
KDM4A O75164 1/20 0.40
PHF8 Q9UPP1 1/20 0.40

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
SCHEMBL14778718 0.87 TSHR (0.52) TSHRALDH1A1LMNAHDAC3HDAC4
SCHEMBL14778688 0.87 TSHR (0.52) TSHRALDH1A1LMNAHDAC3HDAC4
SCHEMBL14778588 0.87 TSHR (0.52) TSHRALDH1A1LMNAHDAC3HDAC4
SCHEMBL14778094 0.87 TSHR (0.52) TSHRALDH1A1LMNAHDAC3HDAC4
SCHEMBL14778719 0.87 TSHR (0.52) TSHRALDH1A1LMNAHDAC3HDAC4
SCHEMBL7940484 0.87 TSHR (0.52) TSHRALDH1A1LMNAHDAC3HDAC4
SCHEMBL14778738 0.87 TSHR (0.52) TSHRALDH1A1LMNAHDAC3HDAC4
SCHEMBL14778760 0.87 TSHR (0.52) TSHRALDH1A1LMNAHDAC3HDAC4
SCHEMBL14778601 0.87 TSHR (0.52) TSHRALDH1A1LMNAHDAC3HDAC4
SCHEMBL8852570 0.86 TSHR (0.48) TSHRKDM4CKDM4AKDM2AENPEP

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
CN-104203993-A Process for producing olefin polymer MITSUI CHEMICALS INC 2014-12-10 CN disclosed