SCHEMBL11841972

SCHEMBL11841972

NCCC(=O)c1ccc2c(c1)Cc1ccc(C(=O)CCN)cc1O2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 17/20 0.44
▸ WNT3A P56704 13/20 0.44
▸ HPGD P15428 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL11836659 0.80 HPGD (0.44) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11801256 0.80 SRD5A2 (0.51) —
SCHEMBL6836837 0.78 CTNNB1 (0.43) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11801251 0.78 ALDH1A1 (0.43) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11807793 0.77 TSHR (0.55) HPGDTSHR
SCHEMBL482960 0.76 PTPN1 (0.46) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11750545 0.76 ALDH1A1 (0.49) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11733551 0.76 CTNNB1 (0.42) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11801246 0.75 CTNNB1 (0.40) CTNNB1WNT3AHPGDTSHR
SCHEMBL11801328 0.75 CTNNB1 (0.41) CTNNB1WNT3AHPGDPKMTSHR

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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