SCHEMBL11670772

SCHEMBL11670772

CCN(c1ccccc1)C(C)OC(=O)Oc1cc(C)c(Cl)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MCL1 Q07820 9/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HPGD P15428 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
SCHEMBL11670082 0.90 MAPT (0.38) MEN1KMT2AMAPTTP53MCL1
SCHEMBL11671451 0.90 S1PR1 (0.42) MEN1KMT2AMAPTTP53MCL1
SCHEMBL11672302 0.89 MEN1 (0.38) MEN1KMT2AMAPTTP53MCL1
SCHEMBL11671393 0.88 MCL1 (0.46) MEN1KMT2AMAPTTP53MCL1
SCHEMBL11671046 0.88 MTNR1B (0.41) MEN1KMT2AMAPTTP53
SCHEMBL11671834 0.87 SMN1; SMN2 (0.43) MEN1KMT2AMAPTTP53L3MBTL1
SCHEMBL11670463 0.86 KMT2A (0.41) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL11671701 0.85 TDP1 (0.42) MEN1KMT2AMAPTTP53L3MBTL1
SCHEMBL11670872 0.84 MEN1 (0.43) MEN1KMT2AMAPTTP53MCL1
SCHEMBL11671034 0.84 LMNA (0.45) MEN1KMT2AMAPTL3MBTL1LMNA

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
Send feedback