SCHEMBL30508348

SCHEMBL30508348

CC(=O)Nc1cc(C(C)=O)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 5/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
ADRB2 P07550 1/20 0.51
HDAC8 Q9BY41 3/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
PRKCI P41743 1/20 0.44

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
SCHEMBL13100053 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL560143 0.87 L3MBTL1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL28384105 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL30275453 0.85 ALDH1A1 (0.55) NPC1RAB9AALDH1A1HPGDKMT2A
SCHEMBL3362895 0.85 ALDH1A1 (0.55) NPC1RAB9AALDH1A1HPGDKMT2A
SCHEMBL9436316 0.84 ALDH1A1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL15765691 0.82 PRKCI (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8716883 0.82 KMT2A (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL31725340 0.82 KMT2A (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL21156024 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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
CN-116478057-A Preparation method of fluororalrana intermediate 洛阳惠中兽药有限公司 2023-07-25 CN disclosed