SCHEMBL9328593

SCHEMBL9328593

O=C(O)Cc1cccc2c(=O)cc(-c3ccc(F)cc3F)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
PRKDC P78527 2/20 0.44
CYP2D6 P10635 2/20 0.43
GLA P06280 1/20 0.43
STING1 Q86WV6 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 2/20 0.42
STAT6 P42226 1/20 0.42
AKR1B1 P15121 1/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
XDH P47989 1/20 0.39

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
SCHEMBL9328912 0.91 CYP1A2 (0.44) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6
SCHEMBL9330744 0.88 CYP1A2 (0.58) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6
SCHEMBL9328990 0.86 CYP2D6 (0.43) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6
SCHEMBL9328479 0.86 CYP2D6 (0.44) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6
SCHEMBL9329003 0.85 CYP1A2 (0.48) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6
SCHEMBL9327900 0.84 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6
SCHEMBL9327602 0.84 CYP2D6 (0.43) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6
SCHEMBL9328614 0.83 CYP1A2 (0.59) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6
SCHEMBL9327573 0.83 GLA (0.46) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6
SCHEMBL9327677 0.82 CYP2D6 (0.53) CYP1A2CYP1A1CYP1B1PRKDCCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454728-B1 FLUORINATED FLAVONE ACETIC ACID UPJOHN CO (US) 1994-03-16 EP claimed
US-5238954-A Antitumor agents THE UPJOHN COMPANY (US) 1993-08-24 US claimed
EP-0454728-A1 FLUORINATED FLAVONE ACETIC ACID. UPJOHN CO (US) 1991-11-06 EP claimed
WO-1990008143-A1 FLUORINATED FLAVONE ACETIC ACID THE UPJOHN COMPANY (US) 1990-07-26 WO claimed
EP-0454728-B1 FLUORINATED FLAVONE ACETIC ACID UPJOHN CO (US) 1994-03-16 EP disclosed
US-5238954-A Antitumor agents THE UPJOHN COMPANY (US) 1993-08-24 US disclosed
EP-0454728-A1 FLUORINATED FLAVONE ACETIC ACID. UPJOHN CO (US) 1991-11-06 EP disclosed
WO-1990008143-A1 FLUORINATED FLAVONE ACETIC ACID THE UPJOHN COMPANY (US) 1990-07-26 WO disclosed