SCHEMBL11670082

SCHEMBL11670082

CCN(c1cccc(C)c1)C(C)OC(=O)Oc1cc(C)c(Cl)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ TP53 P04637 3/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ POLQ O75417 4/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ GPX4 P36969 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL11671451 0.91 S1PR1 (0.42) MAPTTP53MCL1L3MBTL1MRGPRX4
SCHEMBL11670772 0.90 MEN1 (0.40) MAPTTP53MCL1L3MBTL1MRGPRX4
SCHEMBL11671046 0.89 MTNR1B (0.41) MAPTTP53MEN1KMT2A
SCHEMBL11670716 0.89 POLQ (0.38) MAPTTP53POLQALDH1A1MEN1
SCHEMBL11670409 0.88 LMNA (0.40) MAPTTP53POLQL3MBTL1ALDH1A1
SCHEMBL11671693 0.87 LMNA (0.46) MAPTTP53POLQL3MBTL1ALDH1A1
SCHEMBL11670878 0.87 KMT2A (0.40) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL11671871 0.86 MAPT (0.42) MAPTTP53POLQALDH1A1MEN1
SCHEMBL11670507 0.86 HSD17B1 (0.43) MAPTTP53POLQALDH1A1MEN1
SCHEMBL11670254 0.84 LMNA (0.41) MAPTALDH1A1MEN1KMT2ANPSR1

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