SCHEMBL8203529

SCHEMBL8203529

CC(C)[C](c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
ALPG P10696 1/20 0.42
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTGS2 P35354 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 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
SCHEMBL28158669 0.86 SMN1; SMN2 (0.43) HPGDSMN1; SMN2LMNARAB9AMEN1
SCHEMBL8204872 0.80 CES2 (0.56) NPC1HPGDSMN1; SMN2LMNARAB9A
SCHEMBL8215240 0.78 CES2 (0.54) MEN1KMT2APOLBCES2CES1
SCHEMBL6984913 0.77 TDP1 (0.47) NPC1HPGDSMN1; SMN2LMNAALPG
SCHEMBL28043394 0.75 NPC1 (0.53) NPC1HPGDSMN1; SMN2LMNAALPG
SCHEMBL9729472 0.75 NPC1 (0.47) NPC1HPGDSMN1; SMN2LMNAALPG
SCHEMBL10518218 0.74 NPC1 (0.48) NPC1HPGDSMN1; SMN2LMNAALPG
SCHEMBL6312637 0.74 NPC1 (0.48) NPC1HPGDSMN1; SMN2LMNAALPG
SCHEMBL8213488 0.74 CES2 (0.48) NPC1HPGDSMN1; SMN2RAB9AMEN1
SCHEMBL12043751 0.72 MLYCD (0.70) NPC1SMN1; SMN2LMNAKMT2AALDH1A1

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-6057290-A ADMINISTERING A CYSTEINE PROTEASE INHIBITOR TO A PATIENT FOR INHIBITING ANGIOGENESIS SENJU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed