SCHEMBL18342570

SCHEMBL18342570

O=[C]CCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ NCOR2 Q9Y618 2/20 0.45
▸ RORC P51449 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ CA2 P00918 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL11558833 0.80 CARM1 (0.58) ALDH1A1TSHRLMNAMAOBAOC3
SCHEMBL4081568 0.79 HTT (0.55) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL151627 0.79 ALDH1A1 (0.52) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8504883 0.78 ALDH1A1 (0.45) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL19326604 0.77 HTT (0.53) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL9329761 0.77 HTT (0.53) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8240347 0.76 HRH3 (0.61) RORCALDH1A1TSHRCNR2OPRM1
SCHEMBL976373 0.76 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL716384 0.75 ALDH1A1 (0.52) ALDH1A1TSHROPRM1OPRD1OPRK1
SCHEMBL4974601 0.75 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8NCOR2

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-3310440-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2018-04-25 — — EP disclosed
WO-2016207089-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 — — WO disclosed
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