SCHEMBL5696305

SCHEMBL5696305

CCn1cc(OC(=O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL11000535 0.84 GAA (0.39) L3MBTL1GAAALDH1A1MAPTKDM4E
SCHEMBL11000534 0.76 GAA (0.39) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL248731 0.76 L3MBTL1 (0.39) L3MBTL1ALDH1A1KMT2A
SCHEMBL10998995 0.76 ALDH1A1 (0.41) ALDH1A1TSHRCSF1R
SCHEMBL25020948 0.75 — —
SCHEMBL10608717 0.73 GABRA1 (0.36) —
SCHEMBL31128947 0.73 KMT2A (0.35) L3MBTL1GAAALDH1A1MAPTKDM4E
SCHEMBL553834 0.72 L3MBTL1 (0.73) L3MBTL1ALDH1A1MAPTKDM4ELMNA
SCHEMBL11003322 0.71 L3MBTL1 (0.53) L3MBTL1ALDH1A1MAPTLMNACYP2C19
Hydrochloric Acid SCHEMBL4758885 0.70 L3MBTL1 (0.71) L3MBTL1ALDH1A1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 — — EP disclosed
EP-1678119-A1 METHOD FOR PRODUCING 2-DIHALOACYL-3-AMINO-ACRYLIC ACID ESTERS AND 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID ESTERS Bayer CropScience Aktiengesellschaft (DE) 2006-07-12 — — EP disclosed
WO-2005042468-A1 METHOD FOR PRODUCING 2-DIHALOACYL-3-AMINO-ACRYLIC ACID ESTERS AND 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID ESTERS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 — — WO disclosed
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