SCHEMBL11698804

SCHEMBL11698804

CCC(CN(CC)c1ccccc1)OC(=O)Oc1cc(C)c(Cl)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MCL1 Q07820 7/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 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
SCHEMBL11670864 0.87 KMT2A (0.36) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL11670540 0.86 TDP1 (0.40) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL11671783 0.85 KMT2A (0.43) KMT2AMEN1MAPTLMNAGAA
SCHEMBL11670393 0.84 KMT2A (0.43) KMT2AMEN1MAPTGAAHTT
SCHEMBL11671807 0.84 MAPT (0.40) KMT2AMEN1MAPTLMNAHTT
SCHEMBL11671514 0.83 MAPT (0.43) KMT2AMEN1MAPTLMNAHTT
SCHEMBL11671695 0.82 KMT2A (0.43) KMT2AMAPTGAAKDM4EALDH1A1
Benzene SCHEMBL11703966 0.82 CNR2 (0.40) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL11672528 0.81 CNR1 (0.41) KMT2AMEN1LMNAGAAHTT
SCHEMBL11670591 0.81 TDP1 (0.37) KMT2AMEN1MAPTHTTSMN1; SMN2

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-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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