SCHEMBL11836659

SCHEMBL11836659

CCN(CC)CCC(=O)c1ccc2c(c1)Cc1ccc(C(=O)CCN(CC)CC)cc1O2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ ATM Q13315 1/20 0.40
▸ CTNNB1 P35222 8/20 0.39
▸ WNT3A P56704 6/20 0.39
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 1/20 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
SCHEMBL11733570 0.95 HPGD (0.44) HPGDATMCTNNB1WNT3APKM
Hydrochloric Acid SCHEMBL11845401 0.92 HPGD (0.43) HPGDATMCTNNB1WNT3APKM
SCHEMBL11801251 0.88 ALDH1A1 (0.43) HPGDATMCTNNB1WNT3APKM
SCHEMBL11729358 0.87 L3MBTL1 (0.43) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL11832428 0.86 HPGD (0.42) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL11801974 0.82 MAPT (0.48) HPGDATMCTNNB1WNT3APKM
SCHEMBL11841972 0.80 CTNNB1 (0.44) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL16921262 0.79 CTNNB1 (0.61) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL11819666 0.76 HPGD (0.40) HPGDATMCTNNB1WNT3APKM
SCHEMBL11732533 0.76 THRA (0.38) HPGDTSHRKMT2A

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-3953602-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-04-27 — — US disclosed
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