SCHEMBL7789933

SCHEMBL7789933

COc1ccc2c3c(c(O)cc2c1)Cc1ccccc1-3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 4/20 0.46
MAPK1 P28482 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX5 P09917 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
ACHE P22303 2/20 0.42

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
SCHEMBL21877452 0.90 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL10102360 0.88 ALOX5 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL7789620 0.83 MEN1 (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2ALOX5
SCHEMBL7784188 0.80 TRPM4 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL10106883 0.75 ACHE (0.51) MAPTKDM4ESMN1; SMN2MAPK1CYP2D6
SCHEMBL7497292 0.73 AR (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL12952508 0.73 ALOX5 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL29120671 0.72 ALOX5 (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL3380386 0.71 KDM4E (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL13880266 0.71 DRD2 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD

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
EP-1042312-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL INC (US) 2001-11-07 EP claimed
EP-1042312-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL INC (US) 2001-11-07 EP disclosed
US-5869658-A POLYMERIC ORGANIC HOST MATERIALS THAT CONTAIN OR THAT ARE COATED WITH THE NOVEL NAPHTHOPYRAN COMPOUNDS, LENSES PPG INDUSTRIES, INC. (US) 1999-02-09 US disclosed