SCHEMBL12987305

SCHEMBL12987305

COc1ccc(N)c(NCC2(C(=O)O)CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ GAA P10253 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37

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
SCHEMBL13728497 0.74 KDM4E (0.41) ALDH1A1MAPTPOLBHDAC2GAA
SCHEMBL17934175 0.72 ALDH1A1 (0.37) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL24732041 0.71 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL4465848 0.70 TP53 (0.34) ALDH1A1MEN1KMT2APOLB
SCHEMBL30712045 0.70 TDP1 (0.51) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL2019104 0.69 ALDH1A1 (0.48) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL29624960 0.69 ALDH1A1 (0.48) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL21315683 0.69 MTNR1A (0.53) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL6627416 0.69 ITGB1 (0.47) ALDH1A1MAPTTSHRKMT2APOLB
SCHEMBL21315658 0.69 MTNR1A (0.58) TDP1SMN1; SMN2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694482-A1 WNT PATHWAY ANTAGONISTS Siena Biotech S.p.A. (IT) 2014-02-12 — — EP disclosed
WO-2012136492-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-10-11 — — WO disclosed
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