SCHEMBL11733570

SCHEMBL11733570

CCN(CC)CCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCN(CC)CC)ccc1O2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ ATM Q13315 1/20 0.40
▸ CTNNB1 P35222 9/20 0.40
▸ WNT3A P56704 7/20 0.40
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 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
Hydrochloric Acid SCHEMBL11845401 0.97 HPGD (0.43) HPGDATMCTNNB1WNT3APKM
SCHEMBL11836659 0.95 HPGD (0.44) HPGDATMCTNNB1WNT3APKM
SCHEMBL11729358 0.92 L3MBTL1 (0.43) HPGDATMCTNNB1WNT3A
SCHEMBL11832428 0.91 HPGD (0.42) HPGDATMCTNNB1WNT3A
SCHEMBL11801974 0.87 MAPT (0.48) HPGDATMCTNNB1WNT3APKM
SCHEMBL11801251 0.82 ALDH1A1 (0.43) HPGDATMCTNNB1WNT3APKM
SCHEMBL16921262 0.80 CTNNB1 (0.61) HPGDATMCTNNB1WNT3AMAOB
SCHEMBL11732533 0.80 THRA (0.38) HPGDTSHRMAOAMAOBTHRA
SCHEMBL11797748 0.79 SLC6A4 (0.46) HPGDCTNNB1WNT3ATHRATHRB
SCHEMBL482960 0.79 PTPN1 (0.46) HPGDCTNNB1WNT3APKMTSHR

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-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
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