SCHEMBL28344978

SCHEMBL28344978

COc1ccc(C[C@@H](C(=O)O)N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.47
FPR2 P25090 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8894219 0.84 CYP1A2 (0.53) ALDH1A1
SCHEMBL6285590 0.84 CYP1A2 (0.53) ALDH1A1
SCHEMBL29578019 0.84 CYP1A2 (0.53) ALDH1A1
SCHEMBL31020736 0.82 CNR2 (0.50) PPARGPPARA
SCHEMBL16078676 0.81 LDHA (0.67) LDHAPPARGPPARATDP1KMT2A
SCHEMBL31062607 0.81 LDHA (0.58) LDHAPPARGPPARATDP1KMT2A
SCHEMBL1716396 0.77 LDHA (0.65) LDHAPPARGPPARATDP1KMT2A
SCHEMBL6821975 0.77 LDHA (0.52) LDHAPPARGPPARAKMT2AFPR2
SCHEMBL6177184 0.76 CYP1A2 (0.69) LDHAPPARGPPARAKMT2AFPR2
SCHEMBL10441796 0.76 ITGB3 (0.60) LDHAPPARGPPARAKMT2AATM

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
CN-113789316-A Phytases, nucleic acids encoding them and methods of making and using them 巴斯夫酶有限责任公司 2021-12-14 CN disclosed
CN-106222185-B Glucanases, nucleic acids encoding them and methods of making and using them 维莱尼姆公司 2021-12-03 CN disclosed
CN-104450754-B Phytases, nucleic acids encoding them and methods of making and using them 巴斯夫酶有限责任公司 2021-10-01 CN disclosed
CN-111484996-A Amylases, nucleic acids encoding them, and methods of making and using them 巴斯夫酶有限责任公司 2020-08-04 CN disclosed
CN-110577945-A xylanases, nucleic acids encoding them, and methods for making and using them 维莱尼姆公司 2019-12-17 CN disclosed