SCHEMBL11745181

SCHEMBL11745181

CC(C)(C)CCCCCC(=O)O.CCCCCCCCCCCCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46
PDE3A Q14432 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7006022 0.87 HDAC3 (0.50) HDAC11TSHRALDH1A1TDP1FABP4
SCHEMBL7005929 0.87 OPRM1 (0.46) TSHRCES2CES1
SCHEMBL7011842 0.87 HDAC3 (0.50) HDAC11TSHRALDH1A1TDP1FABP4
SCHEMBL5146639 0.87 OPRM1 (0.46) TSHRCES2CES1
SCHEMBL3175352 0.87 HDAC3 (0.50) HDAC11TSHRALDH1A1TDP1FABP4
SCHEMBL7006072 0.87 HDAC3 (0.50) HDAC11TSHRALDH1A1TDP1FABP4
SCHEMBL7025068 0.87 OPRM1 (0.46) TSHRCES2CES1
SCHEMBL20564993 0.87 OPRM1 (0.46) TSHRCES2CES1
SCHEMBL20564310 0.87 HDAC3 (0.50) HDAC11TSHRALDH1A1TDP1FABP4
SCHEMBL5147680 0.87 OPRM1 (0.46) TSHRCES2CES1

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
US-4059414-A REACTION PRODUCT OF A SULFONIC ACID, MONOCARBOXYLIC ACID AND TRIALKANOLAMINE PHILLIPS PETROLEUM COMPANY (US) 1977-11-22 US disclosed