SCHEMBL11733551

SCHEMBL11733551

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 11/20 0.42
▸ WNT3A P56704 9/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KLF5 Q13887 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL11801328 0.95 CTNNB1 (0.41) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2
SCHEMBL6836837 0.90 CTNNB1 (0.43) CTNNB1WNT3AALDH1A1HPGDPKM
SCHEMBL11752377 0.86 CTNNB1 (0.36) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2
SCHEMBL11750545 0.85 ALDH1A1 (0.49) CTNNB1WNT3AALDH1A1SMN1; SMN2MAPT
SCHEMBL11731631 0.85 CTNNB1 (0.40) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2
SCHEMBL11677470 0.82 RAB9A (0.53) CTNNB1WNT3AMAPTL3MBTL1KDM4E
SCHEMBL11746256 0.82 CTNNB1 (0.35) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2
SCHEMBL11797748 0.80 SLC6A4 (0.46) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2
SCHEMBL482960 0.79 PTPN1 (0.46) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11794977 0.79 L3MBTL1 (0.59) ALDH1A1TP53SMN1; SMN2LMNAMAPT

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 5 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-4008240-A VIRICIDE RICHARDSON-MERRELL INC. (US) 1977-02-15 — — 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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