SCHEMBL7767452

SCHEMBL7767452

O=C1[C@H](CSCc2ccccc2)C[C@H](CSCc2ccccc2)N1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.43
KCNA5 P22460 4/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
AGTR2 P50052 1/20 0.37
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DHFR P00374 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7767448 0.86 CRBN (0.44) CRBNALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7762170 0.86 CRBN (0.44) CRBNALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7762178 0.77 CRBN (0.46) CRBNALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7764994 0.76 ALDH1A1 (0.38) CRBNKCNA5ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7765765 0.75 CRBN (0.44) CRBNALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7764959 0.75 CRBN (0.44) CRBNALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7767518 0.69 CRBN (0.41) CRBNALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7767480 0.68 CRBN (0.40) CRBNALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7762198 0.67 CRBN (0.39) CRBNALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7767479 0.67 CRBN (0.39) CRBNALDH1A1SMN1; SMN2L3MBTL1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639566-B1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO LTD (JP) 2001-06-20 EP disclosed
US-5461158-A Immunodeficiency and autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed
EP-0639566-A1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP disclosed