SCHEMBL11819443

SCHEMBL11819443

CCCCN(CCCC)CCC(=O)c1ccc2c(c1)Oc1ccc(C(=O)CCN(CCCC)CCCC)cc1S2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 11/20 0.48
▸ THRB P10828 10/20 0.48
▸ HPGD P15428 2/20 0.40
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL11819666 0.89 HPGD (0.40) THRATHRBHPGDCTNNB1WNT3A
Hydrochloric Acid SCHEMBL11819328 0.88 HPGD (0.39) THRATHRBHPGDCTNNB1WNT3A
SCHEMBL11872995 0.79 THRA (0.53) THRATHRB
Hydrochloric Acid SCHEMBL11817157 0.78 MAPT (0.43) HPGDCTNNB1WNT3AALDH1A1MAPT
SCHEMBL11817359 0.77 CTNNB1 (0.39) HPGDCTNNB1WNT3AALDH1A1
SCHEMBL11814803 0.75 CYP1A2 (0.42) THRATHRBCTNNB1WNT3AALDH1A1
SCHEMBL10170811 0.74 ALDH1A1 (0.42) HPGDCTNNB1WNT3AALDH1A1MAPT
SCHEMBL10214294 0.74 ATM (0.50) THRATHRBHPGDCTNNB1WNT3A
SCHEMBL11815161 0.72 HPGD (0.39) HPGDCTNNB1WNT3AALDH1A1MAPT
SCHEMBL11746200 0.71 ALDH1A1 (0.54) HPGDALDH1A1MAPT

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-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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