SCHEMBL7912253

SCHEMBL7912253

Cc1ccccc1/C=C/c1ccccc1-c1ccccc1/C=C/c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.56
NR1H3 Q13133 1/20 0.56
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.52
RAB9A P51151 6/20 0.52
KDM4E B2RXH2 5/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MEN1 O00255 1/20 0.50
PABPC1 P11940 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 2/20 0.47
TP53 P04637 2/20 0.47
CYP2D6 P10635 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACHE P22303 1/20 0.43
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL1589395 0.89 ALDH1A1 (0.62) NR1H2NR1H3ALDH1A1TSHRRAB9A
SCHEMBL1035353 0.89 ALDH1A1 (0.62) NR1H2NR1H3ALDH1A1TSHRRAB9A
SCHEMBL1767678 0.87 ALDH1A1 (0.59) NR1H2NR1H3ALDH1A1TSHRRAB9A
SCHEMBL142259 0.87 ALDH1A1 (0.59) NR1H2NR1H3ALDH1A1TSHRRAB9A
SCHEMBL31668810 0.87 ALDH1A1 (0.59) NR1H2NR1H3ALDH1A1TSHRRAB9A
SCHEMBL29403804 0.80 RAB9A (0.68) NR1H2NR1H3ALDH1A1TSHRRAB9A
SCHEMBL318135 0.80 RAB9A (0.68) NR1H2NR1H3ALDH1A1TSHRRAB9A
SCHEMBL142258 0.80 RAB9A (0.68) NR1H2NR1H3ALDH1A1TSHRRAB9A
SCHEMBL8613856 0.79 TSHR (0.41) NR1H2NR1H3ALDH1A1TSHRRAB9A
SCHEMBL23458040 0.79 ALDH1A1 (0.56) NR1H2NR1H3ALDH1A1TSHRRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014143-A1 METHOD FOR PRODUCING PAPER COMPOUND MATERIALS AND MATERIALS THAT ARE ADHESIVE AFTER HUMIDIFICATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-01 WO disclosed