SCHEMBL11753584

SCHEMBL11753584

O=C(CCl)c1ccc2c(c1)Cc1c(ccc(C(=O)CCl)c1C(=O)CCl)O2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTNNB1 P35222 10/20 0.35
▸ WNT3A P56704 7/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL11750545 0.84 ALDH1A1 (0.49) ALDH1A1MAPTHPGDPKMTSHR
SCHEMBL11752377 0.84 CTNNB1 (0.36) ALDH1A1MAPTHPGDPKMTSHR
SCHEMBL11746256 0.83 CTNNB1 (0.35) ALDH1A1MAPTHPGDPKMTSHR
SCHEMBL6836837 0.74 CTNNB1 (0.43) ALDH1A1HPGDPKMTSHRCTNNB1
SCHEMBL11731631 0.73 CTNNB1 (0.40) ALDH1A1MAPTSMN1; SMN2CTNNB1WNT3A
SCHEMBL11733551 0.72 CTNNB1 (0.42) ALDH1A1MAPTHPGDPKMTSHR
SCHEMBL619096 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDPKMTSHR
SCHEMBL18114087 0.71 ALDH1A1 (0.48) ALDH1A1MAPTHPGDPKMTSHR
SCHEMBL11801328 0.71 CTNNB1 (0.41) ALDH1A1MAPTHPGDPKMTSHR
SCHEMBL482960 0.69 PTPN1 (0.46) HPGDPKMTSHRCTNNB1WNT3A

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-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 — — US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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