SCHEMBL12440598

SCHEMBL12440598

COC(=O)C[C@H]1CC[C@H](Oc2ccc(C)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.42
ACACB O00763 3/20 0.40
P2RX3 P56373 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 1/20 0.39
PARP10 Q53GL7 1/20 0.39
ACSL1 P33121 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL10148307 0.86 SMN1; SMN2 (0.49) EPHX2ACACBPARP10FAAH
SCHEMBL10148308 0.86 EPHX2 (0.53) EPHX2ALDH1A1PARP10FAAH
SCHEMBL14235504 0.84 CYP19A1 (0.46) EPHX2
SCHEMBL14127724 0.84 CYP19A1 (0.46) EPHX2
SCHEMBL10197496 0.79 DGAT1 (0.47) ALDH1A1FAAH
SCHEMBL16839074 0.79 P2RX3 (0.44) EPHX2P2RX3MMP13KMT2ACHRNA7
SCHEMBL13117542 0.79 LMNA (0.51) EPHX2ALDH1A1KMT2A
SCHEMBL10186118 0.79 LMNA (0.48) EPHX2KMT2AFAAH
SCHEMBL25273164 0.78 CYP2D6 (0.52) ALDH1A1KMT2A
SCHEMBL17784008 0.78 CYP2D6 (0.52) ALDH1A1KMT2A

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
WO-2011096377-A1 PYRROLE COMPOUND 第一三共株式会社 (JP) 2011-08-11 WO disclosed