SCHEMBL8008535

SCHEMBL8008535

C=C(c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
LMNA P02545 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 4/20 0.59
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL8019190 0.99 RAB9A (0.66) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8023083 0.92 RAB9A (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8019362 0.88 ALDH1A1 (0.59) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7658611 0.88 RAB9A (0.66) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7680689 0.87 RAB9A (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7666105 0.87 RAB9A (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7662134 0.87 RAB9A (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7666022 0.87 RAB9A (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7661277 0.87 RAB9A (0.67) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7657503 0.86 RAB9A (0.66) RAB9ANPC1CASP3SENP8SENP7

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
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO disclosed