SCHEMBL8807380

SCHEMBL8807380

ONCc1ccc(-c2ccccc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.62
CYP2A6 P11509 4/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2E1 P05181 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2B6 P20813 1/20 0.58
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX5 P09917 1/20 0.53
HTR6 P50406 2/20 0.47
GAA P10253 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 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
SCHEMBL623853 0.82 ALDH1A1 (0.65) HRH1CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL9834128 0.81 ALDH1A1 (0.60) HRH1CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL24701101 0.81 SOS1 (0.68) HRH1CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL24701104 0.79 HTR6 (0.56) HRH1CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL28897283 0.78 HRH1 (0.63) HRH1CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL30190001 0.78 HRH1 (0.58) HRH1CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL9631451 0.77 HRH1 (0.57) HRH1CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL24701301 0.75 HRH1 (0.63) HRH1CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL24701173 0.75 HRH1 (0.55) HRH1CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL19243567 0.75 HRH1 (0.63) HRH1CYP2A6CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320628-B1 Substituted furan compounds which are useful in inhibiting lipoxygenase enzymes, particularly 5-lipoxygenase ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5112848-A Antiasthmatics and antiarthritic agents ABBOTT LABORATORIES (US) 1992-05-12 US disclosed
EP-0388429-A4 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS 1991-08-21 EP disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
EP-0320628-A1 Substituted furan compounds which are useful in inhibiting lipoxygenase enzymes, particularly 5-lipoxygenase ABBOTT LABORATORIES (US) 1989-06-21 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed