SCHEMBL11750545

SCHEMBL11750545

O=C(CCl)c1ccc2c(c1)Cc1cc(C(=O)CCl)ccc1O2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CTNNB1 P35222 9/20 0.44
▸ WNT3A P56704 5/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL6836837 0.88 CTNNB1 (0.43) ALDH1A1CTNNB1WNT3AHPGDPKM
SCHEMBL11733551 0.85 CTNNB1 (0.42) ALDH1A1MAPTCTNNB1WNT3AHPGD
SCHEMBL11753584 0.84 ALDH1A1 (0.40) ALDH1A1MAPTCTNNB1WNT3AGSK3B
SCHEMBL11801328 0.84 CTNNB1 (0.41) ALDH1A1MAPTCTNNB1WNT3AHPGD
SCHEMBL482960 0.83 PTPN1 (0.46) CTNNB1WNT3AGSK3BHPGDPKM
SCHEMBL619096 0.82 ALDH1A1 (0.50) ALDH1A1MAPTCTNNB1WNT3AGSK3B
SCHEMBL14692395 0.82 GSK3B (0.50) ALDH1A1MAPTCTNNB1WNT3AGSK3B
SCHEMBL18114087 0.81 ALDH1A1 (0.48) ALDH1A1MAPTCTNNB1WNT3AGSK3B
SCHEMBL11679626 0.80 MAPT (0.58) ALDH1A1MAPTGSK3BSMN1; SMN2KDM4E
SCHEMBL10170815 0.79 ALDH1A1 (0.60) ALDH1A1MAPTCTNNB1WNT3AGSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 — — US disclosed
US-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
US-3953602-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-04-27 — — US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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