SCHEMBL8868142

SCHEMBL8868142

CCCCc1ccc2oc3ccccc3c(=O)c2c1CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PGAM1 P18669 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.43
PSMD14 O00487 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL28686355 0.84 ESR1 (0.39) ALDH1A1SMN1; SMN2KDM4ECYP3A4MAPT
SCHEMBL8867510 0.84 MAOA (0.51) MAOAALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL27693802 0.81 MAOA (0.51) MAOAALDH1A1RAB9AMGAMGAA
SCHEMBL7089070 0.81 MAOA (0.53) MAOAALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL18259101 0.81 KDM5A (0.46) MAOAALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL28284758 0.80 MAOA (0.42) MAOAALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL29254203 0.80 MAOA (0.50) MAOAALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL11344866 0.79 MAOA (0.49) MAOAALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL18242393 0.78 MAOA (0.45) MAOAALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL2467290 0.77 MAOA (0.56) MAOAALDH1A1KDM4EHPGDHSD17B10

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
US-5623080-A Fluorone and pyronin Y derivatives SPECTRA GROUP LIMITED, INC. (US) 1997-04-22 US disclosed
US-5451343-A Photoinitiators SPECTRA GROUP LIMITED, INC. (US) 1995-09-19 US disclosed
WO-1995014689-A1 FLUORONE AND PYRONIN Y DERIVATIVES SPECTRA GROUP LIMITED, INC. (US) 1995-06-01 WO disclosed