SCHEMBL7792739

SCHEMBL7792739

COc1ccc2c3c(c4c(c2c1)C=CC(c1ccccc1)(c1ccccc1)O4)Cc1ccccc1-3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
ACHE P22303 2/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 2/20 0.33

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
SCHEMBL21877308 0.92 CA1 (0.35) CA1CA2CA4CA6ACHE
SCHEMBL5101461 0.88 MEN1 (0.33) CA1CA2CA4CA6KDM4E
SCHEMBL13766165 0.83 MEN1 (0.33) ACHEKDM4EALDH1A1HPGDCYP2C9
SCHEMBL21877240 0.82 MAPT (0.35) ACHEKDM4EMAPTMAPK1LMNA
SCHEMBL10102196 0.82 KMT2A (0.33) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14444800 0.81 MEN1 (0.34) ACHEKDM4EALDH1A1HPGDCYP2C9
SCHEMBL13880499 0.81 MEN1 (0.33) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14444797 0.81 DRD2 (0.34) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7784216 0.80 MEN1 (0.31) CA1CA2CA4CA6MEN1
SCHEMBL10102362 0.79 MAPT (0.32) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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 2 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