SCHEMBL8663902

SCHEMBL8663902

CCCCCCCCCCC[C](CCCN(C)C)CCCN(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.64
TSHR P16473 5/20 0.46
ALDH1A1 P00352 3/20 0.46
LSS P48449 1/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
GPR84 Q9NQS5 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL23451829 0.85 ALDH1A1 (0.56) DNM1TSHRALDH1A1HSD17B10
SCHEMBL23451837 0.84 ALDH1A1 (0.53) DNM1TSHRALDH1A1TDP1HSD17B10
SCHEMBL22462118 0.82 DNM1 (0.59) DNM1TSHRALDH1A1CES2CES1
SCHEMBL28430391 0.82 DNM1 (0.59) DNM1TSHRALDH1A1CES2CES1
SCHEMBL29125639 0.82 DNM1 (0.59) DNM1TSHRALDH1A1CES2CES1
SCHEMBL28483282 0.82 DNM1 (0.59) DNM1TSHRALDH1A1CES2CES1
SCHEMBL23451761 0.82 ALDH1A1 (0.50) DNM1TSHRALDH1A1TDP1HSD17B10
SCHEMBL7211309 0.82 CES2 (0.58) TSHRALDH1A1CES2CES1PPARG
SCHEMBL9284134 0.82 CES2 (0.58) TSHRALDH1A1CES2CES1PPARG
SCHEMBL11314393 0.82 CES2 (0.58) TSHRALDH1A1CES2CES1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747560-A AMMONIUM SALTS ALLIEDSIGNAL INC. (US) 1998-05-05 US disclosed
EP-0598836-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL. ALLIED SIGNAL INC (US) 1994-06-01 EP disclosed
WO-1993004117-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL ALLIED-SIGNAL INC. (US) 1993-03-04 WO disclosed
US-4390729-A Process for carbonylation using tetraalkyl phosphonium substituted phosphine and amine transition metal complexes as catalyst EXXON RESEARCH AND ENGINEERING CO. (US) 1983-06-28 US disclosed
US-4302401-A Tetraalkyl phosphonium substituted phosphine and amine transition metal complexes EXXON RESEARCH & ENGINEERING CO. (US) 1981-11-24 US disclosed
EP-0023924-A4 TETRAALKYL PHOSPHONIUM SUBSTITUTED PHOSPHINE AND AMINE SUBSTITUTED TRANSITION METAL COMPLEXES. EXXON RESEARCH ENGINEERING CO (US) 1981-07-16 EP disclosed
EP-0023924-A1 TETRAALKYL PHOSPHONIUM SUBSTITUTED PHOSPHINE AND AMINE SUBSTITUTED TRANSITION METAL COMPLEXES. EXXON RESEARCH ENGINEERING CO (US) 1981-02-18 EP disclosed
WO-1980001692-A1 TETRAALKYL PHOSPHONIUM SUBSTITUTED TRANSITION METAL COMPLEXES EXXON RESEARCH ENGINEERING CO (US) 1980-08-21 WO disclosed
US-4136103-A MICROSTRUCTURE, HEAT RESISTANCE, THIXOTROPY IN ORGANIC LIQUIDS EXXON RESEARCH & ENGINEERING CO. (US) 1979-01-23 US disclosed