SCHEMBL12800400

SCHEMBL12800400

C=C(/C=C\c1ccccc1C)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PLIN1 O60240 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PLIN5 Q00G26 1/20 0.39
▸ ABHD5 Q8WTS1 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL13678965 0.84 CYP3A4 (0.35) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL22820179 0.83 NPC1 (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL13176644 0.82 NFE2L2 (0.41) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL19058717 0.82 RAB9A (0.33) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1897277 0.79 CA12 (0.54) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1897276 0.79 CA12 (0.54) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8349679 0.79 RAB9A (0.41) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8349013 0.76 TSHR (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2961735 0.76 TSHR (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8859640 0.76 ALDH1A1 (0.45) MEN1KMT2AMAPTLMNAPOLB

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
EP-2305760-A1 Pigment dispersion liquid, method of producing the same, and ink composition Fujifilm Corporation (JP) 2011-04-06 — — EP disclosed
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