SCHEMBL10692091

SCHEMBL10692091

CCN(CC)c1cc(C(=O)O)ccc1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.55
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 3/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PKM P14618 2/20 0.41
MAPK1 P28482 2/20 0.41
MDM2 Q00987 2/20 0.41
GAA P10253 2/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41

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
SCHEMBL19130780 0.76 HCAR3 (0.59) HCAR3KMT2AMEN1NPC1RAB9A
SCHEMBL31721465 0.74 ALDH1A1 (0.50) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL498268 0.74 TSHR (0.52) KMT2AMEN1NPC1POLBSMN1; SMN2
SCHEMBL15574025 0.73 CA12 (0.59) HCAR3RAB9AHTTALDH1A1PKM
SCHEMBL3529075 0.72 HCAR3 (0.55) HCAR3KMT2AMEN1NPC1RAB9A
SCHEMBL27845415 0.71 PTPN1 (0.55) HCAR3KMT2AMEN1NPC1RAB9A
SCHEMBL10502222 0.71 HCAR3 (1.00) HCAR3KMT2AMEN1NPC1RAB9A
SCHEMBL29364242 0.71 TPMT (0.58) POLBSMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL2723610 0.71 TPMT (0.58) POLBSMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL7434160 0.71 ALDH1A1 (0.50) KMT2AMEN1NPC1RAB9APOLB

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
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed