SCHEMBL11746241

SCHEMBL11746241

O=C(CCCCCl)c1ccc2c(c1)C(C(=O)CCCCCl)c1cc(C(=O)CCCCCl)ccc1O2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ KLF5 Q13887 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PTGS1 P23219 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CTNNB1 P35222 7/20 0.33
▸ WNT3A P56704 5/20 0.33

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
SCHEMBL11752369 0.96 ALDH1A1 (0.36) ALDH1A1L3MBTL1TP53SMN1; SMN2LMNA
SCHEMBL11753550 0.79 ALDH1A1 (0.43) ALDH1A1TP53SMN1; SMN2MAPTKDM4E
SCHEMBL11801328 0.77 CTNNB1 (0.41) ALDH1A1L3MBTL1TP53SMN1; SMN2LMNA
SCHEMBL11747287 0.76 CTNNB1 (0.39) ALDH1A1L3MBTL1TP53SMN1; SMN2LMNA
SCHEMBL11753611 0.74 S1PR5 (0.36) NPC1
SCHEMBL11733551 0.73 CTNNB1 (0.42) ALDH1A1L3MBTL1TP53SMN1; SMN2LMNA
SCHEMBL11551446 0.72 TTR (0.42) ALDH1A1L3MBTL1LMNAMAPTTDP1
SCHEMBL4855229 0.71 HPGD (0.66) ALDH1A1L3MBTL1TP53SMN1; SMN2LMNA
SCHEMBL4857484 0.69 CTNNB1 (0.56) ALDH1A1L3MBTL1TP53SMN1; SMN2LMNA
SCHEMBL11746256 0.69 CTNNB1 (0.35) ALDH1A1L3MBTL1TP53SMN1; SMN2LMNA

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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