SCHEMBL11731631

SCHEMBL11731631

O=C(CCCCl)c1ccc2c(c1)Cc1c(cccc1C(=O)CCCCl)O2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 18/20 0.40
▸ WNT3A P56704 15/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KLF5 Q13887 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11752377 0.87 CTNNB1 (0.36) CTNNB1WNT3AALDH1A1LMNATP53
SCHEMBL11733551 0.85 CTNNB1 (0.42) CTNNB1WNT3AALDH1A1LMNATP53
SCHEMBL11746256 0.83 CTNNB1 (0.35) CTNNB1WNT3AALDH1A1LMNATP53
SCHEMBL11801328 0.81 CTNNB1 (0.41) CTNNB1WNT3AALDH1A1LMNATP53
SCHEMBL11827023 0.76 CTNNB1 (0.36) CTNNB1WNT3AL3MBTL1
SCHEMBL6836837 0.76 CTNNB1 (0.43) CTNNB1WNT3AALDH1A1
SCHEMBL11753584 0.73 ALDH1A1 (0.40) CTNNB1WNT3AALDH1A1MAPTSMN1; SMN2
SCHEMBL11750545 0.72 ALDH1A1 (0.49) CTNNB1WNT3AALDH1A1MAPTSMN1; SMN2
SCHEMBL11841250 0.69 TTR (0.41) CTNNB1WNT3A
SCHEMBL11677470 0.69 RAB9A (0.53) CTNNB1WNT3AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4008240-A VIRICIDE RICHARDSON-MERRELL INC. (US) 1977-02-15 — — US disclosed
Send feedback