SCHEMBL11670507

SCHEMBL11670507

CCN(c1cccc(C)c1)C(C)OC(=O)Oc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.43
▸ HSD17B2 P37059 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ POLQ O75417 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GPX4 P36969 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HPGD P15428 1/20 0.36

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
SCHEMBL11671665 0.93 GAA (0.46) ALDH1A1MAPTTP53HTTKDM4E
SCHEMBL11671871 0.93 MAPT (0.42) HSD17B1HSD17B2ALDH1A1MAPTTP53
SCHEMBL11670409 0.92 LMNA (0.40) HSD17B1HSD17B2ALDH1A1MAPTTP53
SCHEMBL11671621 0.92 POLB (0.40) HSD17B1HSD17B2ALDH1A1MAPTTP53
SCHEMBL11671693 0.91 LMNA (0.46) HSD17B1HSD17B2ALDH1A1MAPTTP53
SCHEMBL11672045 0.91 PPARG (0.42) HSD17B1HSD17B2MAPTTP53GAA
SCHEMBL11670716 0.90 POLQ (0.38) HSD17B1HSD17B2ALDH1A1MAPTTP53
SCHEMBL11671423 0.90 MEN1 (0.42) HSD17B1HSD17B2ALDH1A1MAPTTP53
SCHEMBL11672314 0.90 S1PR1 (0.41) ALDH1A1MAPTTP53GAAKMT2A
SCHEMBL11670324 0.90 MTNR1B (0.44) HSD17B1HSD17B2ALDH1A1TP53GAA

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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