SCHEMBL11619922

SCHEMBL11619922

O=C(O)c1cc(-c2ccc(-c3cc(C(=O)O)on3)cc2)no1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 3/20 0.57
HCAR2 Q8TDS4 1/20 0.53
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL15919682 0.93 PTPN1 (0.56) PTPN1SMN1; SMN2RAB9AHCAR2KDM4E
SCHEMBL212382 0.92 RAB9A (0.68) PTPN1SMN1; SMN2RAB9AHCAR2KDM4E
SCHEMBL3101558 0.91 PTPN1 (0.64) PTPN1SMN1; SMN2RAB9AHCAR2KDM4E
SCHEMBL3611504 0.91 PTPN1 (0.57) PTPN1SMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL8880032 0.91 HCAR2 (0.55) PTPN1SMN1; SMN2RAB9AHCAR2KDM4E
Hydrochloric Acid SCHEMBL8880218 0.90 RAB9A (0.66) PTPN1SMN1; SMN2RAB9AHCAR2KDM4E
SCHEMBL7999942 0.89 PTPN1 (0.50) PTPN1SMN1; SMN2RAB9AHCAR2KDM4E
Hydrochloric Acid SCHEMBL8878911 0.89 HCAR2 (0.53) PTPN1SMN1; SMN2RAB9AHCAR2KDM4E
Hydrochloric Acid SCHEMBL6822320 0.89 PTPN1 (0.56) PTPN1SMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL3533246 0.89 SMN1; SMN2 (0.51) PTPN1SMN1; SMN2RAB9AHCAR2KDM4E

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-4159336-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1979-06-26 US disclosed