SCHEMBL8385754

SCHEMBL8385754

Cc1cccc(C(=O)OO)c1.O=C(OOC(=O)c1ccccc1I)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HTT P42858 3/20 0.46
NPC1 O15118 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 1/20 0.41
ALOX5 P09917 1/20 0.41
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
F2 P00734 2/20 0.40
PLAU P00749 2/20 0.40
ELANE P08246 2/20 0.40
CTRB1 P17538 2/20 0.40
AHR P35869 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8385756 0.96 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL7655082 0.84 CES1 (0.49) MAPTMEN1KMT2ANPC1POLB
Benzoyl Peroxide SCHEMBL10925824 0.76 F2 (0.57) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL8387007 0.74 KCNK3 (0.50) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL27459060 0.72 CES1 (0.65) MAPTMEN1KMT2ANPC1CYP2C19
SCHEMBL27499697 0.72 CES1 (0.70) MEN1KMT2ANPC1POLBALOX5
SCHEMBL329271 0.71 F2 (0.65) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL29390229 0.71 F2 (0.65) SMN1; SMN2MAPTMEN1KMT2ANPC1
Benzoyl Peroxide SCHEMBL10925823 0.71 F2 (0.65) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL19360854 0.71 ALOX5 (0.67) SMN1; SMN2MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed