SCHEMBL11819666

SCHEMBL11819666

CCN(CC)CCC(=O)c1ccc2c(c1)Oc1ccc(C(=O)CCN(CC)CC)cc1S2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ CTNNB1 P35222 8/20 0.38
▸ WNT3A P56704 7/20 0.38
▸ ATM Q13315 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ POLB P06746 1/20 0.34

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 SCHEMBL11819328 0.99 HPGD (0.39) HPGDCTNNB1WNT3AATMMAOA
SCHEMBL11819443 0.89 THRA (0.48) HPGDCTNNB1WNT3ATHRATHRB
Hydrochloric Acid SCHEMBL11817157 0.86 MAPT (0.43) HPGDCTNNB1WNT3AATMTSHR
SCHEMBL11817359 0.80 CTNNB1 (0.39) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL11733570 0.78 HPGD (0.44) HPGDCTNNB1WNT3AATMMAOA
SCHEMBL11732533 0.78 THRA (0.38) HPGDMAOAMAOBTSHRTHRA
SCHEMBL10170811 0.77 ALDH1A1 (0.42) HPGDCTNNB1WNT3AATMPKM
SCHEMBL10214294 0.77 ATM (0.50) HPGDCTNNB1WNT3AATMTSHR
SCHEMBL11836659 0.76 HPGD (0.44) HPGDCTNNB1WNT3AATMPKM
Hydrochloric Acid SCHEMBL11845401 0.75 HPGD (0.43) HPGDCTNNB1WNT3AATMMAOA

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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