SCHEMBL5665654

SCHEMBL5665654

CCN(CC)c1ccc(C)c(C(c2ccc(SC)cc2)c2cc(N(CC)CC)ccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100B P04271 1/20 0.41
▸ GRK6 P43250 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TERT O14746 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ IGLV6-57 P01721 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL5665645 0.89 S100B (0.44) S100BGRK6SLC6A4ALDH1A1TSHR
SCHEMBL5007900 0.88 GRK6 (0.48) S100BGRK6ALDH1A1TSHRTERT
SCHEMBL11520124 0.85 GRK6 (0.48) S100BGRK6ALDH1A1TSHRTERT
SCHEMBL5555831 0.84 S100B (0.44) S100BGRK6ALDH1A1TSHRTERT
SCHEMBL5554872 0.82 ALDH1A1 (0.44) S100BGRK6ALDH1A1TSHRTERT
SCHEMBL5097347 0.82 LMNA (0.49) S100BGRK6ALDH1A1TSHRTERT
SCHEMBL5556669 0.82 S100B (0.46) S100BGRK6ALDH1A1TSHRTERT
SCHEMBL237533 0.82 S100B (0.45) S100BGRK6ALDH1A1TSHRTERT
SCHEMBL5667453 0.81 CNR2 (0.42) S100BGRK6ALDH1A1TSHRTERT
SCHEMBL81552 0.81 S100B (0.53) S100BGRK6ALDH1A1TSHRTERT

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-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 — — US disclosed
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