SCHEMBL3401822

SCHEMBL3401822

C[C@@H](CO)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
IDO1 P14902 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TP53 P04637 1/20 0.36
NLRP1 Q9C000 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL3401819 1.00 FSCN1 (0.41) FSCN1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1642844 0.80 CYP2B6 (0.41) SMN1; SMN2HPGDNPC1ALDH1A1GAA
SCHEMBL10053417 0.77 ALDH1A1 (0.41) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL3288030 0.72 SMN1; SMN2 (0.43) SMN1; SMN2TP53ALDH1A1LMNATSHR
SCHEMBL1134230 0.72 SMN1; SMN2 (0.43) SMN1; SMN2TP53ALDH1A1LMNATSHR
SCHEMBL7442872 0.72 BACE1 (0.39) HPGDALDH1A1KDM4E
SCHEMBL2257344 0.71 CYP3A4 (0.43) RAB9AALDH1A1GAAMAPTLMNA
SCHEMBL2257347 0.71 CYP3A4 (0.43) RAB9AALDH1A1GAAMAPTLMNA
SCHEMBL6273809 0.71 MAPT (0.52) SMN1; SMN2HPGDNPC1RAB9ANLRP1
SCHEMBL4539730 0.71 LMNA (0.34) SMN1; SMN2ALDH1A1GAALMNATSHR

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
EP-2250155-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-11-17 EP disclosed
WO-2009089462-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed