SCHEMBL4885710

SCHEMBL4885710

C[C@H](NC(=O)N[C@H](C(=O)O)C(C)(C)C)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
TRPV1 Q8NER1 2/20 0.48
HDAC3 O15379 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SSTR4 P31391 1/20 0.48
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL5106897 1.00 EPHX2 (0.55) EPHX2LMNAGAATRPV1HDAC3
SCHEMBL24575927 0.86 EPHX2 (0.64) EPHX2LMNAGAATRPV1HDAC3
SCHEMBL10797865 0.84 EPHX2 (0.57) EPHX2LMNAGAATRPV1SSTR4
SCHEMBL9560347 0.84 EPHX2 (0.57) EPHX2LMNAGAATRPV1SSTR4
SCHEMBL14025088 0.82 EPHX2 (0.60) EPHX2LMNAGAATRPV1HDAC3
SCHEMBL16477697 0.81 EPHX2 (0.56) EPHX2LMNAGAATRPV1HDAC3
SCHEMBL16480210 0.79 EPHX2 (0.60) EPHX2LMNAGAATRPV1HDAC3
SCHEMBL14004671 0.79 EPHX2 (0.60) EPHX2LMNAGAATRPV1HDAC3
SCHEMBL7263715 0.78 LMNA (0.61) EPHX2LMNAGAASSTR4METAP2
SCHEMBL8518963 0.78 LMNA (0.61) EPHX2LMNAGAASSTR4METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3086844-A None JP disclosed
US-20080103207-A1 TOPICAL CERAMIDE COMPOSITIONS AND METHODS OF USE TAKASAGO INTERNATIONAL CORP. (USA) (US) 2008-05-01 US disclosed
JP-H0386844-A OPTICAL RESOLUTION OF ALLETHRIN OPTICAL ISOMER MIXTURE JIYUUKA BUNSEKI CENTER:KK 1991-04-11 JP disclosed