SCHEMBL19486015

SCHEMBL19486015

COc1cc(OC)c(C(=O)NC2CCC(NC(=O)c3cc(C(=O)NCCN(C)C)c(OCCCCCN)cc3OCCCCCN)CC2)cc1C(=O)NC1CCC(NC(=O)c2cc(C(=O)NCCN(C)C)c(CCCCCCN)cc2OCCCCCN)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ EHMT2 Q96KQ7 2/20 0.38
▸ EHMT1 Q9H9B1 2/20 0.38
▸ CNR2 P34972 3/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ SELP P16109 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ UHRF1 Q96T88 1/20 0.36
▸ HTR4 Q13639 4/20 0.36

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
SCHEMBL18116721 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL12515252 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL10268073 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL10262116 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL19445884 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL13973796 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL16285881 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL10262722 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL21864859 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL19219830 0.90 ALDH1A1 (0.53) ALDH1A1KMT2AGPR55KDM4EMEN1

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
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
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