SCHEMBL9733911

SCHEMBL9733911

O=C(C=Cc1ccc(OCC2CCCCC2)cc1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.58
PARP15 Q460N3 5/20 0.58
PARP2 Q9UGN5 2/20 0.52
HPGD P15428 4/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
GPR35 Q9HC97 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FFAR1 O14842 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43

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
SCHEMBL9733910 1.00 PARP10 (0.58) PARP10PARP15PARP2HPGDMEN1
SCHEMBL154421 0.86 PARP10 (0.57) PARP10PARP15PARP2HPGDMEN1
SCHEMBL9636658 0.86 PARP10 (0.57) PARP10PARP15PARP2HPGDMEN1
SCHEMBL9734423 0.85 PARP10 (0.53) PARP10PARP15PARP2HPGDMEN1
SCHEMBL9734420 0.85 PARP10 (0.53) PARP10PARP15PARP2HPGDMEN1
SCHEMBL10426427 0.83 PARP15 (0.53) PARP10PARP15PARP2HPGDRAB9A
SCHEMBL10426426 0.83 PARP15 (0.53) PARP10PARP15PARP2HPGDRAB9A
SCHEMBL20024716 0.82 HPGD (0.58) PARP10PARP15PARP2HPGDTLR4
SCHEMBL23866742 0.80 MAOB (0.59) KMT2ANPC1POLBRAB9A
SCHEMBL8007805 0.78 GSK3B (0.64) HPGDMEN1KMT2ANPC1RAB9A

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
US-5135955-A Anticoagulants or antifungal activity ELI LILLY AND COMPANY (US) 1992-08-04 US disclosed
EP-0339878-A2 Propanamine derivatives ELI LILLY AND COMPANY (US) 1989-11-02 EP disclosed