SCHEMBL9516469

SCHEMBL9516469

CCCCC(=O)Oc1ccc(C(=O)O)cc1OC(=O)CCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 1/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 1/20 0.57
ALOX15 P16050 2/20 0.56
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
HPGD P15428 1/20 0.48
PTPN11 Q06124 1/20 0.47

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
SCHEMBL3609114 0.90 TSHR (0.62) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL14672687 0.87 TOP2A (0.61) TSHRALDH1A1ALOX15CA12CA1
SCHEMBL109694 0.87 TOP2A (0.61) TSHRALDH1A1ALOX15CA12CA1
SCHEMBL1740685 0.87 ALOX15 (0.53) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL1740674 0.87 ALOX15 (0.53) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL11284887 0.86 ALOX15 (0.55) KDM4ERAB9AMEN1RECQLKMT2A
SCHEMBL9512855 0.85 ALOX15 (0.53) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL4263896 0.84 ALOX15 (0.52) TSHRKDM4EALDH1A1MEN1RECQL
SCHEMBL6763903 0.83 KMT2A (0.55) KDM4EMEN1RECQLKMT2AALOX15
SCHEMBL1977070 0.82 MGLL (0.52) TSHRKDM4EALDH1A1MEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308977-B1 Anthracycline derivatives having inhibitory activity against reverse transcriptase of human immunodeficiency virus ZAIDAN HOJIN BISEIBUTSU (JP) 1993-12-08 EP disclosed
US-5003055-A Anthracycline derivatives having inhibitory activity against reverse transcriptase of human immunodeficiency virus ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1991-03-26 US disclosed
EP-0308977-A2 Anthracycline derivatives having inhibitory activity against reverse transcriptase of human immunodeficiency virus ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-03-29 EP disclosed