SCHEMBL27718342

SCHEMBL27718342

CCOC(=O)COCCc1ccnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
TOP2A P11388 2/20 0.41
CYP1A2 P05177 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH1 P35367 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
TSHR P16473 2/20 0.39
ABCB1 P08183 1/20 0.39
CYP2C9 P11712 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
SCHEMBL7208445 0.84 CYP4F2 (0.60) ALDH1A1KDM4ESMN1; SMN2LMNACYP4F2
SCHEMBL27718338 0.82 CYP1A2 (0.49) ALDH1A1KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL6174947 0.81 PKM (0.54) ALDH1A1KDM4ESMN1; SMN2LMNATOP2A
SCHEMBL5717650 0.81 CYP4F2 (0.63) ALDH1A1KDM4ESMN1; SMN2LMNACYP4F2
SCHEMBL5538129 0.79 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2LMNATOP2A
SCHEMBL24762616 0.76 LMNA (0.52) ALDH1A1KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL27783318 0.75 LMNA (0.43) ALDH1A1KDM4ESMN1; SMN2LMNACYP4F2
SCHEMBL27636037 0.75 PKM (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL28661753 0.75 CYP1A2 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNACYP4F2
SCHEMBL29852763 0.74 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2LMNACYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100406013-C Camptothecin derivatives CALIFORNIA PACIFIC MED CENTER (US) 2008-07-30 CN disclosed