SCHEMBL11545206

SCHEMBL11545206

C=CC(OC(=O)CCC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40

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
SCHEMBL6391621 0.84 ALDH1A1 (0.42) LMNAALDH1A1KMT2AMEN1HPGD
SCHEMBL11414486 0.82 LMNA (0.40) LMNAALDH1A1POLBL3MBTL1CYP2C19
SCHEMBL9472075 0.81 HDAC3 (0.39) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL10775906 0.78 CYP2C19 (0.41) LMNAALDH1A1NPSR1MAPK1HTT
SCHEMBL10617730 0.78 CYP2C19 (0.41) LMNANPSR1GAACYP2C19SMN1; SMN2
SCHEMBL9615717 0.78 CYP2C19 (0.41) LMNAALDH1A1KMT2AHPGDCYP2C19
SCHEMBL29190248 0.78 TSHR (0.52) MAPTLMNAALDH1A1POLBHTT
SCHEMBL24718093 0.77 NR4A2 (0.50) NR4A2MAPTLMNAALDH1A1NPSR1
SCHEMBL2886387 0.76 CYP2C19 (0.43) LMNAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL2886386 0.76 CYP2C19 (0.43) MAPTLMNAALDH1A1MAPK1L3MBTL1

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
US-4148987-A USED FOR DISPOSABLE PRODUCTS AND AS PRESSURE SENSITIVE ADHESIVES ROHM AND HAAS COMPANY (US) 1979-04-10 — — US disclosed
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