SCHEMBL8877502

SCHEMBL8877502

COc1ccc2cc(OCc3ccccc3F)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.58
PARP15 Q460N3 3/20 0.58
PTPN1 P18031 4/20 0.54
MAOB P27338 7/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PTPN2 P17706 3/20 0.51
CDC25B P30305 3/20 0.51
PTPN6 P29350 1/20 0.51
PARP14 Q460N5 2/20 0.50
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 1/20 0.48
GPR84 Q9NQS5 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
SCHEMBL21340831 0.86 MAOB (0.65) PARP10PARP15MAOBNPC1RAB9A
SCHEMBL12443168 0.86 PTPN1 (0.53) PARP10PARP15PTPN1MAOBNPC1
SCHEMBL7239415 0.84 MAOB (0.58) PARP10PARP15PTPN1MAOBNPC1
SCHEMBL5397207 0.80 PTPN1 (0.60) PARP10PARP15PTPN1MAOBPTPN2
SCHEMBL8877320 0.80 PTPN1 (0.64) PARP10PARP15PTPN1MAOBPTPN2
SCHEMBL8876594 0.80 PTPN1 (0.60) PARP10PARP15PTPN1MAOBPTPN2
SCHEMBL5968422 0.79 PTPN1 (0.50) PARP10PARP15PTPN1MAOBNPC1
SCHEMBL4244280 0.79 PTPN1 (0.56) PARP10PARP15PTPN1MAOBNPC1
SCHEMBL31556124 0.79 PTPN1 (0.56) PARP10PARP15PTPN1MAOBNPC1
SCHEMBL21083437 0.79 MAOB (0.55) PARP10PARP15PTPN1MAOBNPC1

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
US-5594016-A ANTIDIABETIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0604983-B1 Naphthalene derivatives MITSUBISHI CHEM CORP (JP) 1996-11-20 EP disclosed
EP-0604983-A1 Naphthalene derivatives Mitsubishi Chemical Corporation (JP) 1994-07-06 EP disclosed