SCHEMBL6817875

SCHEMBL6817875

CCCCCCCC(N)=O.CCCCCCCC(N)=O.CCCCCCCC(N)=O.[V]C1=CC=CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SOAT1 P35610 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FAAH O00519 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CNR1 P21554 1/20 0.40
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37

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
Hydrochloric Acid SCHEMBL6813987 0.79 KDM4E (0.45) KDM4ESOAT1MEN1KMT2AFAAH
SCHEMBL6817803 0.79 KDM4E (0.45) KDM4ESOAT1MEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL7519627 0.79 KDM4E (0.45) KDM4ESOAT1MEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL7529515 0.79 KDM4E (0.45) KDM4ESOAT1MEN1KMT2AFAAH
SCHEMBL104521 0.74 SOAT1 (0.74) KDM4ESOAT1MEN1KMT2AFAAH
SCHEMBL8743286 0.74 SOAT1 (0.74) KDM4ESOAT1MEN1KMT2AFAAH
SCHEMBL216219 0.74 SOAT1 (0.74) KDM4ESOAT1MEN1KMT2AFAAH
Octadecanoic Acid Amide SCHEMBL8417300 0.74 SOAT1 (0.74) KDM4ESOAT1MEN1KMT2AFAAH
SCHEMBL22319678 0.74 SOAT1 (0.74) KDM4ESOAT1MEN1KMT2AFAAH
SCHEMBL2876770 0.74 SOAT1 (0.74) KDM4ESOAT1MEN1KMT2AFAAH

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-0919574-B1 Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared UBE INDUSTRIES (JP) 2004-02-11 EP disclosed
US-20020077433-A1 Catalyst system for the polymerization of dienes BAYER AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
US-6300450-B1 Conjugated diene compound polymerization catalyst process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared UBE INDUSTRIES, LTD. (JP) 2001-10-09 US disclosed
EP-0919574-A1 Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared Ube Industries, Ltd. (JP) 1999-06-02 EP disclosed