SCHEMBL3694347

SCHEMBL3694347

CC1CCC(NC(=O)CC(CC(=O)NC2CCC(C)CC2)C(=O)NC2CCC(C)CC2)CC1.CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Mg+2]

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.46
GPR84 Q9NQS5 2/20 0.45
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
FAAH O00519 2/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGER2 P43116 4/20 0.36
TBXA2R P21731 1/20 0.36
PTGFR P43088 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PTGER4 P35408 3/20 0.35
PTGER3 P43115 3/20 0.35

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
Zinc Ion SCHEMBL3692705 0.98 NFKB1 (0.46) NFKB1GPR84FFAR4FFAR1FAAH
Potassium Ion SCHEMBL3686752 0.98 NFKB1 (0.46) NFKB1GPR84FFAR4FFAR1FAAH
SCHEMBL3689865 0.98 NFKB1 (0.46) NFKB1GPR84FFAR4FFAR1FAAH
SCHEMBL3694269 0.98 NFKB1 (0.49) NFKB1GPR84FFAR4FFAR1FAAH
Stearic Acid SCHEMBL3689753 0.94 GNAI3 (0.43) GNAI3GNAO1GNAI1ALDH1A1KMT2A
Stearic Acid SCHEMBL3694415 0.91 GNAI3 (0.43) GNAI3GNAO1GNAI1ALDH1A1KMT2A
Stearic Acid SCHEMBL3696590 0.91 GNAI3 (0.46) GNAI3GNAO1GNAI1ALDH1A1KMT2A
Stearic Acid SCHEMBL3686452 0.91 GNAI3 (0.43) GNAI3GNAO1GNAI1ALDH1A1KMT2A
Stearic Acid SCHEMBL3690322 0.91 GNAI3 (0.43) NFKB1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL3695705 0.88 NFKB1 (0.43) NFKB1GPR84FFAR4FFAR1FAAH

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