SCHEMBL11817359

SCHEMBL11817359

O=C(CCCl)c1ccc2c(c1)Oc1ccc(C(=O)CCCl)cc1S2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 12/20 0.39
▸ WNT3A P56704 8/20 0.39
▸ HPGD P15428 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL10170811 0.88 ALDH1A1 (0.42) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11747287 0.84 CTNNB1 (0.39) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL10214294 0.82 ATM (0.50) CTNNB1WNT3AHPGDTSHRALDH1A1
SCHEMBL11820732 0.82 ALDH1A1 (0.46) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL22001281 0.81 PDE4A (0.37) CTNNB1WNT3AHPGDALDH1A1NPC1
SCHEMBL11819666 0.80 HPGD (0.40) CTNNB1WNT3AHPGDPKMTSHR
Hydrochloric Acid SCHEMBL11819328 0.79 HPGD (0.39) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11819443 0.77 THRA (0.48) CTNNB1WNT3AHPGDALDH1A1
SCHEMBL22001283 0.77 CNR1 (0.42) CTNNB1WNT3AHPGDTSHRALDH1A1
SCHEMBL11746200 0.76 ALDH1A1 (0.54) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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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