SCHEMBL28650765

SCHEMBL28650765

Cc1cc(OC(=O)[C@@H]2C[C@H]2C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 5/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.43

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
SCHEMBL28668421 0.83 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL28655379 0.82 TDP1 (0.47) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL28655012 0.82 MAPK1 (0.47) TSHRLMNAMEN1KMT2AHTT
SCHEMBL1429398 0.81 TSHR (0.54) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL28474988 0.80 TSHR (0.53) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL28630724 0.79 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL28649738 0.78 ATM (0.43) RAB9ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL28664266 0.78 MAPK1 (0.43) TSHRLMNAMEN1KMT2AHTT
SCHEMBL28649735 0.78 ATM (0.43) RAB9ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL28664262 0.78 MAPK1 (0.43) TSHRLMNAMEN1KMT2AHTT

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-113717062-A Compound, polymer, liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and production method 捷恩智株式会社 2021-11-30 CN disclosed