SCHEMBL6689326

SCHEMBL6689326

CCCCOc1ccc(-c2cc3ccccc3oc2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.74
RAB9A P51151 9/20 0.60
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 6/20 0.60
MAOB P27338 3/20 0.60
NPC1 O15118 8/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
GAA P10253 5/20 0.58
HPGD P15428 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
ESR1 P03372 1/20 0.58
GAPDH P04406 1/20 0.58
ESR2 Q92731 1/20 0.58
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
GLA P06280 3/20 0.53
MAPT P10636 2/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL24046282 0.85 MAOB (0.69) TP53RAB9AALDH1A1KDM4EMAOB
SCHEMBL18535597 0.85 MAOB (0.62) TP53RAB9AALDH1A1KDM4EMAOB
SCHEMBL18535513 0.84 MAOB (0.61) TP53RAB9AALDH1A1KDM4EMAOB
SCHEMBL2167401 0.84 MIF (0.71) TP53RAB9AALDH1A1KDM4EMAOB
SCHEMBL23713537 0.83 MAOB (0.58) TP53RAB9AALDH1A1KDM4EMAOB
SCHEMBL23713486 0.83 TP53 (0.58) TP53RAB9AALDH1A1KDM4EMAOB
SCHEMBL6691200 0.82 ALDH1A1 (0.74) RAB9AALDH1A1KDM4EMAOBNPC1
SCHEMBL23713470 0.82 MIF (0.68) TP53RAB9AALDH1A1KDM4EMAOB
SCHEMBL24046151 0.82 MAOB (0.56) TP53RAB9AALDH1A1KDM4EMAOB
SCHEMBL15398237 0.82 MAOB (0.76) TP53RAB9AALDH1A1KDM4EMAOB

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-3583102-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
WO-2004089995-A2 PHOTOPOLYMERIZATION SYSTEMS AND THEIR USE ALBEMARLE CORPORATION (US) 2004-10-21 WO disclosed
US-20040198859-A1 Photopolymerization systems and their use NGUYEN CHAU K (US) 2004-10-07 US disclosed