SCHEMBL8977504

SCHEMBL8977504

CCCCC(C)(C)CC(=CO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
CPT2 P23786 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRIK1 P39086 2/20 0.33
EP300 Q09472 1/20 0.32
ALOX15 P16050 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
AKR1B1 P15121 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL5038779 0.78 TET2 (0.37) FFAR1CPT2TDP1GRIK1CYP2D6
SCHEMBL5611289 0.76 TDP1 (0.50) FFAR1CPT2TDP1ALOX15CA2
SCHEMBL5611284 0.76 TDP1 (0.50) FFAR1CPT2TDP1ALOX15CA2
SCHEMBL12451278 0.76 TDP1 (0.74) FFAR1CPT2TDP1ALOX15AKR1B1
SCHEMBL8977495 0.72 TDP1 (0.45) FFAR1CPT2TDP1ALOX15CA2
SCHEMBL1410643 0.71 FFAR1 (0.48) FFAR1CPT2TDP1
SCHEMBL1781887 0.71 TDP1 (0.48) FFAR1CPT2TDP1
SCHEMBL20490041 0.71 FFAR1 (0.48) FFAR1CPT2TDP1CA2MAPK1
SCHEMBL3907324 0.71 CES1 (0.46) FFAR1TDP1ALOX15AKR1B1APEX1
SCHEMBL5611305 0.71 TDP1 (0.54) FFAR1CPT2TDP1ALOX15AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376021-B1 Styrene-based resin composite material and use thereof IDEMITSU PETROCHEMICAL CO (JP) 1996-04-24 EP disclosed
US-5273830-A Magnetic recording medium comprising a syndiotactic styrene-based polymer substrate, a magnetic layer and a backcoat lubricating layer each layer containing a curable phosphazine compound IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1993-12-28 US disclosed
US-5082717-A Lubricating layer of a curable phosphazene compound IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1992-01-21 US disclosed
EP-0376021-A2 Styrene-based resin composite material and use thereof IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1990-07-04 EP disclosed