SCHEMBL8440887

SCHEMBL8440887

COc1cc(=O)oc2cc3occc3cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
CYP3A4 P08684 8/20 0.53
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 7/20 0.53
CYP2A6 P11509 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
MAOA P21397 2/20 0.53
CYP2C19 P33261 2/20 0.53
NFKB1 P19838 1/20 0.53
ACHE P22303 1/20 0.53
ALDH1A1 P00352 7/20 0.52
PGR P06401 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP1A1 P04798 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
KCNA2 P16389 1/20 0.52
TSHR P16473 1/20 0.52
CYP1B1 Q16678 1/20 0.52
MAPT P10636 2/20 0.50

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
SCHEMBL600311 0.80 KDM4E (0.58) PTPN1CYP3A4KDM4EHSD17B10CYP2A6
(+)-Oxypeucedanin SCHEMBL28392858 0.78 ALDH1A1 (0.61) PTPN1CYP3A4KDM4EHSD17B10CYP2A6
SCHEMBL9361777 0.77 ALDH1A1 (0.56) PTPN1CYP3A4KDM4EHSD17B10CYP2A6
SCHEMBL23640376 0.76 KDM4E (0.57) PTPN1CYP3A4KDM4EHSD17B10CYP2A6
SCHEMBL4795310 0.76 PTPN1 (0.53) PTPN1CYP3A4KDM4EHSD17B10CYP2A6
SCHEMBL2583433 0.75 KCNA3 (0.65) KCNA2KCNA3THRBKCNA5
Psoralen SCHEMBL28497870 0.74 KDM4E (0.86) PTPN1CYP3A4KDM4EHSD17B10CYP2A6
SCHEMBL28145934 0.74 MAOA (0.54) PTPN1CYP3A4KDM4EHSD17B10CYP2A6
SCHEMBL1301705 0.74 CYP3A4 (0.62) PTPN1CYP3A4KDM4EHSD17B10CYP2A6
SCHEMBL18073930 0.73 AKR1B1 (0.61) PTPN1CYP3A4KDM4EHSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579784-B1 METHOD FOR PREVENTING RESTENOSIS FOLLOWING RECONFIGURATION OF BODY VESSELS ADVANCED RES & TECH INST (US) 1999-11-10 EP claimed
US-5405868-A Treating skin disorders GOUPIL JEAN-JACQUES (FR) 1995-04-11 US disclosed
US-5360816-A ORALLY ADMINISTERING 5-METHOXY-PSORALEN TO A PATIENT AND THEN EXPOSING PATIENT TO ULTRAVIOLET RADIATION GOUPIL JEAN JACQUES (FR) 1994-11-01 US disclosed
US-4429138-A MULTISTEP, FROM PHLOROGLUCINOL GOUPIL JEAN JACQUES (FR) 1984-01-31 US disclosed