SCHEMBL9051614

SCHEMBL9051614

COc1cc(COC(=O)c2cc(S(=O)(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c5ccc2c3c54)c([N+](=O)[O-])cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CYP3A4 P08684 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CASP3 P42574 1/20 0.37

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
SCHEMBL9049534 0.83 RAB9A (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL31344272 0.82 SMN1; SMN2 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL31344265 0.73 P2RX7 (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL14733954 0.73 NPC1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL26661473 0.72 RAB9A (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL11593080 0.71 SMN1; SMN2 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL4075702 0.71 SMN1; SMN2 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL11593077 0.71 RAB9A (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL13839051 0.71 RAB9A (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL874473 0.70 ALDH1A1 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1MTNR1A

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-5514710-A Photocleavable derivatives of hydroxyprenesulfonic acids MOLECULAR PROBES, INC. (US) 1996-05-07 — — US disclosed
Send feedback