SCHEMBL10540485

SCHEMBL10540485

BrCc1cccc(Oc2ccccc2)c1.CC(C)(C)c1ccc(CBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FDFT1 P37268 1/20 0.44
▸ NR4A1 P22736 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ NR4A3 Q92570 1/20 0.43
▸ TRPA1 O75762 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ CETP P11597 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL8983582 0.92 FDFT1 (0.49) FAAHTSHRHSD17B10ALDH1A1KDM4E
SCHEMBL202774 0.84 ALDH1A1 (0.54) TSHRHSD17B10ALDH1A1KDM4ETDP1
SCHEMBL8088764 0.83 SIGMAR1 (0.52) FAAHTSHRHSD17B10ALDH1A1KDM4E
Bromide SCHEMBL11317156 0.82 ALDH1A1 (0.53) TSHRHSD17B10ALDH1A1KDM4ETDP1
SCHEMBL16316303 0.78 FDFT1 (0.50) FAAHTSHRHSD17B10ALDH1A1KDM4E
SCHEMBL11705881 0.78 TSHR (0.57) TSHRHSD17B10ALDH1A1KDM4ETDP1
SCHEMBL9707070 0.78 FFAR1 (0.59) —
SCHEMBL9558481 0.77 FAAH (0.45) FAAHALDH1A1KDM4ETDP1HTT
SCHEMBL13802648 0.77 FAAH (0.49) FAAHTSHRHSD17B10ALDH1A1KDM4E
SCHEMBL4178681 0.77 ALDH1A1 (0.51) FAAHALDH1A1KDM4EHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4876251-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-24 — — US disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 — — EP disclosed
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