SCHEMBL11671437

SCHEMBL11671437

CCc1ccc(OC(=O)OC(CC)CN(CC)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ NOX1 Q9Y5S8 2/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GPR88 Q9GZN0 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
SCHEMBL11672710 0.92 MEN1 (0.40) RAB9APPARGPPARAMEN1KMT2A
SCHEMBL11670540 0.91 TDP1 (0.40) RAB9AMEN1KMT2ANOX1CNR2
SCHEMBL11671481 0.89 MAPT (0.41) RAB9AMEN1KMT2ANOX1NPC1
SCHEMBL11672528 0.89 CNR1 (0.41) RAB9AMEN1KMT2ACNR2CNR1
SCHEMBL11671807 0.89 MAPT (0.40) RAB9AMEN1KMT2ANOX1CNR2
SCHEMBL11671783 0.88 KMT2A (0.43) RAB9APPARGPPARAMEN1KMT2A
Benzene SCHEMBL11703966 0.87 CNR2 (0.40) RAB9ACNR2CRHBPCRHR2TSHR
SCHEMBL11670864 0.83 KMT2A (0.36) RAB9AMEN1KMT2ANOX1CNR2
SCHEMBL11671552 0.82 MEN1 (0.35) RAB9AMEN1KMT2ANOX1CNR2
SCHEMBL11670575 0.82 SLC18A3 (0.40) RAB9AMEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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