SCHEMBL10950452

SCHEMBL10950452

CCCC(=O)OC1=C(c2ccc(CC)cc2)C(=O)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ BUB1 O43683 1/20 0.33

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
SCHEMBL10948933 0.72 KMT2A (0.37) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL10944971 0.71 HPGD (0.38) NPSR1ALDH1A1MEN1KMT2AALOX15
SCHEMBL10951017 0.71 ALDH1A1 (0.37) WRNALDH1A1MEN1TSHRKMT2A
SCHEMBL10946923 0.70 KMT2A (0.46) WRNNPSR1ALDH1A1MEN1KMT2A
SCHEMBL11094467 0.70 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL10735404 0.70 POLM (0.41) NPSR1ALDH1A1MEN1KMT2AALOX15
SCHEMBL10948755 0.70 NPC1 (0.44) WRNNPSR1ALDH1A1MEN1TSHR
SCHEMBL10733838 0.68 KMT2A (0.38) ALDH1A1MEN1KMT2AALOX15NPC1
SCHEMBL10731415 0.68 HPGD (0.39) NPSR1ALDH1A1KMT2AALOX15KDM4E
SCHEMBL10945092 0.68 GAA (0.40) WRNNPSR1TSHRKMT2ALMNA

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-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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