SCHEMBL7152145

SCHEMBL7152145

CCC(C)(C)c1ccc(Oc2cc(NC(=O)COCc3ccccc3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 6/20 0.45
ALDH1A1 P00352 4/20 0.45
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 5/20 0.42
MEN1 O00255 2/20 0.41
GBA1 P04062 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7146345 0.92 ALDH1A1 (0.46) SMN1; SMN2RAB9AALDH1A1PTPRCPTPN1
SCHEMBL7152143 0.91 ALDH1A1 (0.42) SMN1; SMN2RAB9AALDH1A1MAPTKMT2A
SCHEMBL7647777 0.87 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AALDH1A1PTPRCPTPN1
SCHEMBL7146343 0.83 ALDH1A1 (0.46) SMN1; SMN2RAB9AALDH1A1MAPTKMT2A
SCHEMBL7647775 0.78 ALDH1A1 (0.50) SMN1; SMN2RAB9AALDH1A1MAPTKMT2A
SCHEMBL7152141 0.76 CYP19A1 (0.54) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL7650201 0.75 ALDH1A1 (0.57) SMN1; SMN2RAB9AALDH1A1PTPRCPTPN1
SCHEMBL7647179 0.75 PTPRC (0.55) SMN1; SMN2RAB9AALDH1A1PTPRCPTPN1
SCHEMBL7600603 0.74 MEN1 (0.47) RAB9AALDH1A1MAPTKMT2AHPGD
SCHEMBL7647567 0.73 NPC1 (0.42) RAB9AALDH1A1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525219-B1 Chemical intermediates for cyan dye forming couplers; deblocking, hydrolysis, acylation EASTMAN KODAK COMPANY 2003-02-25 US disclosed
US-6482953-B1 2-benzyloxy-4-nitro-5-substituted-acylanilide compounds and method of using them EASTMAN KODAK COMPANY 2002-11-19 US disclosed