SCHEMBL19232951

SCHEMBL19232951

C=C(C)c1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP2A6 P11509 3/20 0.48
▸ ALDH5A1 P51649 1/20 0.43
▸ ABAT P80404 1/20 0.43
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ DRD1 P21728 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP3 Q9Y6F1 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP2A13 Q16696 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36

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
SCHEMBL47357 0.94 CYP2A6 (0.54) ALDH1A1CYP2A6ALDH5A1ABATPARP10
SCHEMBL9516265 0.82 MAPT (0.44) ALDH1A1HSD17B10HSD17B1MAPTSMN1; SMN2
SCHEMBL10397390 0.81 HSD17B1 (0.59) ALDH1A1CYP2A6ALDH5A1ABATTRIM24
SCHEMBL30516987 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6ALDH5A1ABATTRIM24
SCHEMBL25288128 0.76 CYP2A6 (0.58) ALDH1A1CYP2A6ALDH5A1ABATTRIM24
SCHEMBL976904 0.76 CYP2A6 (0.58) ALDH1A1CYP2A6ALDH5A1ABATTRIM24
SCHEMBL27335985 0.76 CYP2A6 (0.58) ALDH1A1CYP2A6ALDH5A1ABATTRIM24
SCHEMBL1666706 0.76 CYP2A6 (0.58) ALDH1A1CYP2A6ALDH5A1ABATTRIM24
SCHEMBL21734392 0.76 HSD17B1 (0.53) ALDH1A1CYP2A6ALDH5A1ABATTRIM24
SCHEMBL13979904 0.76 ALDH1A1 (0.55) ALDH1A1CYP2A6ALDH5A1ABATTRIM24

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
WO-2017146420-A1 LED PACKAGE COMPRISING RED ORGANIC-INORGANIC HYBRID LIGHT-EMITTING MATERIAL AND BACKLIGHT UNIT EMPLOYING SAME 주식회사 효성 2017-08-31 — — WO disclosed
WO-2017138764-A1 RED ORGANIC-INORGANIC COMPOSITE LIGHT EMITTING MATERIAL AND METHOD FOR PRODUCING SAME 주식회사 효성 2017-08-17 — — WO disclosed
WO-2017138765-A1 LED LIGHT EMITTING DEVICE COMPRISING RED ORGANIC-INORGANIC COMPOSITE LIGHT EMITTING MATERIAL 주식회사 효성 2017-08-17 — — WO disclosed
Send feedback