SCHEMBL7074503

SCHEMBL7074503

COc1ccc(-c2cc(C(=O)O)c(C(C)C)n2N)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALPL P05186 1/20 0.43
MPO P05164 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LPAR1 Q92633 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL4574389 0.85 LMNA (0.44) KDM4EMEN1KMT2AMPOALDH1A1
SCHEMBL5922323 0.72 NOTUM (0.51) POLBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5922329 0.71 NOTUM (0.56) POLBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL154613 0.69 NPC1 (0.66) POLBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2553094 0.69 NPC1 (0.66) POLBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL29399711 0.69 NPC1 (0.66) POLBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5922382 0.68 NOTUM (0.54) POLBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7290818 0.68 ALDH1A1 (0.51) POLBKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL31336165 0.68 ALDH1A1 (0.51) POLBKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL12546032 0.68 SMN1; SMN2 (0.56) POLBKDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278784-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2003-01-29 EP disclosed
CN-1347423-A Catalyst contg. N-pyrrolyl substd. nitrogen donors EASTMAN CHEM CO (US) 2002-05-01 CN disclosed
EP-1192189-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2002-04-03 EP disclosed
WO-2001083571-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2001-11-08 WO disclosed
WO-2000050470-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2000-08-31 WO disclosed