SCHEMBL27804380

SCHEMBL27804380

C[C@@H](O)COc1cc(Cl)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.52
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
PTGER1 P34995 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
SCN4A P35499 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11335418 0.81 MEN1 (0.51) PTGER1MEN1KMT2ASCN4ALMNA
SCHEMBL31644042 0.77 SLC2A1 (0.53) MEN1KMT2AATMLMNAKDM4E
SCHEMBL9434947 0.77 SLC2A1 (0.53) MEN1KMT2AATMLMNAKDM4E
SCHEMBL27553509 0.76 GAA (0.52) SLC6A4HTR2CHTR2BMEN1KMT2A
SCHEMBL6630996 0.76 PTGER1 (0.56) SLC6A4PTGER1MRGPRX4
SCHEMBL27804382 0.76 MEN1 (0.56) SLC6A4HTR2CHTR2BPTGER1MEN1
SCHEMBL875817 0.76 MEN1 (0.52) MEN1KMT2AMRGPRX4LMNAKDM4E
SCHEMBL11595834 0.76 CYP1A2 (0.56) KMT2AMRGPRX4LMNASMN1; SMN2TDP1
SCHEMBL20064612 0.75 SLC6A4 (0.56) SLC6A4HTR2CHTR2BPTGER1MEN1
SCHEMBL27604187 0.75 SLC6A4 (0.56) SLC6A4HTR2CHTR2BPTGER1MRGPRX4

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-101981023-A Process for preparing benzo-fused dioxin derivatives JANSSEN PHARMACEUTICA NV 2011-02-23 CN disclosed