SCHEMBL588461

SCHEMBL588461

CCCCC(O)[N]C(O)CCCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
DNM1 Q05193 2/20 0.39
FDPS P14324 1/20 0.39
CA2 P00918 3/20 0.37
MAPK1 P28482 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
CA1 P00915 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
FFAR1 O14842 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL588814 0.92 GPR84 (0.44) FDPSGPR84SPHK1FFAR1LMNA
SCHEMBL8312133 0.89 GPR84 (0.48) FDPSGPR84SPHK1FFAR1LMNA
SCHEMBL588493 0.81 TSHR (0.36) FDPSTDP1LMNATSHR
SCHEMBL14108155 0.78
SCHEMBL17110688 0.74
SCHEMBL2522755 0.73
SCHEMBL4965604 0.72 ALDH1A1 (0.38) ALDH1A1DNM1FDPSCA2MAPK1
SCHEMBL8831740 0.72
SCHEMBL7708644 0.71 SPHK1 (0.52) ALDH1A1DNM1FDPSCA2MAPK1
SCHEMBL600713 0.71 SPHK1 (0.52) ALDH1A1DNM1FDPSCA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US disclosed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US disclosed
EP-0519423-B1 Phthalocyanine compounds and usage thereof MITSUI CHEMICALS INC (JP) 1999-03-03 EP disclosed
US-5695911-A CONTAINING PHTHALOCYANINE COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-12-09 US disclosed
US-5380842-A Color filters MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-10 US disclosed
EP-0519423-A2 Phthalocyanine compounds and usage thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-23 EP disclosed