SCHEMBL11670273

SCHEMBL11670273

CCN(c1ccccc1)C(C)OC(=O)Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 4/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ APP P05067 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CAMK2A Q9UQM7 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
SCHEMBL11670566 0.90 UBE2M (0.38) STAT3UBE2MDCUN1D1OPRM1ALDH1A1
SCHEMBL11671208 0.89 MAPT (0.37) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL11671378 0.88 HSD17B1 (0.43) STAT3ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL11671971 0.88 GHSR (0.38) STAT3ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL11670385 0.85 STAT3 (0.38) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL11679457 0.84 ALDH1A1 (0.39) STAT3UBE2MDCUN1D1OPRM1ALDH1A1
SCHEMBL11671701 0.83 TDP1 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11672578 0.83 PTGDR2 (0.50) OPRM1MEN1KMT2ACASP1
Hydrochloric Acid SCHEMBL11671225 0.82 TDP1 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11670462 0.81 MTNR1A (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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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