SCHEMBL11747287

SCHEMBL11747287

O=C(CCCCCl)c1ccc2c(c1)Sc1cc(C(=O)CCCCCl)ccc1O2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 9/20 0.39
▸ WNT3A P56704 7/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KLF5 Q13887 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 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
SCHEMBL11817359 0.84 CTNNB1 (0.39) CTNNB1WNT3AALDH1A1SMN1; SMN2TDP1
SCHEMBL11820732 0.83 ALDH1A1 (0.46) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2
SCHEMBL11814803 0.82 CYP1A2 (0.42) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2
SCHEMBL11801328 0.81 CTNNB1 (0.41) CTNNB1WNT3AALDH1A1L3MBTL1TP53
SCHEMBL11748266 0.78 KDM4E (0.55) ALDH1A1L3MBTL1TP53SMN1; SMN2MAPT
SCHEMBL11750568 0.78 L3MBTL1 (0.40) CTNNB1WNT3AL3MBTL1LMNAMAPT
SCHEMBL10170811 0.78 ALDH1A1 (0.42) CTNNB1WNT3AALDH1A1SMN1; SMN2MAPT
SCHEMBL11746241 0.76 ALDH1A1 (0.35) CTNNB1WNT3AALDH1A1L3MBTL1TP53
SCHEMBL11733551 0.76 CTNNB1 (0.42) CTNNB1WNT3AALDH1A1L3MBTL1TP53
SCHEMBL11551446 0.75 TTR (0.42) CTNNB1WNT3AALDH1A1L3MBTL1LMNA

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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