SCHEMBL8967775

SCHEMBL8967775

C#CCOCC(COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(COCC#C)OCC3CO3)c(Br)c2)cc1Br)OCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL6856005 0.84 ALDH1A1 (0.43) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL8850030 0.83 TSHR (0.56) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL9693395 0.79 ALDH1A1 (0.50) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL8967417 0.76 TSHR (0.40) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL1104781 0.75 ALDH1A1 (0.55) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL13385072 0.75 ALDH1A1 (0.51) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL3746342 0.74 ALDH1A1 (0.50) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL8967047 0.73 ALDH1A1 (0.39) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL13003246 0.73 ALDH1A1 (0.46) ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL8966995 0.72 TP53 (0.40) ALDH1A1TP53MAPTHPGDTSHR

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-0458296-B1 Modified epoxy resins having acetylenically unsaturated functions NIPPON PAINT CO LTD (JP) 1996-03-06 EP disclosed
US-5242996-A MODIFIED EPOXY RESINS HAVING ACETYLENICALLY UNSATURATED FUNCTIONS NIPPON PAINT CO., LTD. (JP) 1993-09-07 US disclosed
EP-0458296-A2 Modified epoxy resins having acetylenically unsaturated functions NIPPON PAINT CO., LTD. (JP) 1991-11-27 EP disclosed