SCHEMBL3695705

SCHEMBL3695705

CC1CCCC(NC(=O)CC(CC(=O)NC2CCCC(C)C2)C(=O)NC2CCCC(C)C2)C1.CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Mg+2]

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.43
GPR84 Q9NQS5 5/20 0.42
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
TBXA2R P21731 1/20 0.36
PTGFR P43088 1/20 0.36
PTGER2 P43116 1/20 0.36
FAAH O00519 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CPB2 Q96IY4 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
EPHX2 P34913 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
Potassium Ion SCHEMBL3685075 0.98 NFKB1 (0.43) NFKB1GPR84FFAR4FFAR1TBXA2R
Zinc Ion SCHEMBL3696414 0.98 NFKB1 (0.43) NFKB1GPR84FFAR4FFAR1TBXA2R
SCHEMBL3697701 0.98 NFKB1 (0.43) NFKB1GPR84FFAR4FFAR1TBXA2R
SCHEMBL3688984 0.98 NFKB1 (0.45) NFKB1GPR84FFAR4FFAR1TBXA2R
Stearic Acid SCHEMBL3695324 0.94 CA12 (0.38) CA12CA9GNAI3GNAO1GNAI1
Stearic Acid SCHEMBL3692578 0.92 CA12 (0.38) CA12CA9GNAI3GNAO1GNAI1
Stearic Acid SCHEMBL3694355 0.92 CA12 (0.38) CA12CA9GNAI3GNAO1GNAI1
Stearic Acid SCHEMBL3692455 0.92 CA12 (0.38) CA12CA9GNAI3GNAO1GNAI1
Stearic Acid SCHEMBL3691279 0.92 GNAI3 (0.40) CA12CA9GNAI3GNAO1GNAI1
SCHEMBL3694347 0.88 NFKB1 (0.46) NFKB1GPR84FFAR4FFAR1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723413-B2 Method and composition for control of crystallization rate of polyolefin resin, resin composition and resin molding NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-20070142514-A1 Method and composition for control of crystallization rate of polyolefin resin, resin composition and resin molding NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-06-21 US disclosed