SCHEMBL11299893

SCHEMBL11299893

CCOc1ccc(C(=O)Oc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 4/20 0.54
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
GPR35 Q9HC97 1/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL11294252 0.90 MAPT (0.53) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL11297538 0.90 LMNA (0.55) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL11412571 0.88 KMT2A (0.53) MAPTALDH1A1SMN1; SMN2KMT2ACCNC
SCHEMBL9291194 0.88 KMT2A (0.53) MAPTALDH1A1SMN1; SMN2KMT2ACCNC
SCHEMBL5961785 0.88 KMT2A (0.53) MAPTALDH1A1SMN1; SMN2KMT2ACCNC
SCHEMBL11293455 0.88 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL11299348 0.87 LMNA (0.60) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL11411199 0.87 KMT2A (0.52) MAPTALDH1A1SMN1; SMN2KMT2ACCNC
SCHEMBL9905995 0.86 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL11296728 0.86 NPC1 (0.60) MAPTALDH1A1SMN1; SMN2KMT2ANPC1

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
EP-0022882-B1 ANISOTROPIC CARBOXYLIC-ACID-4-CYCLOHEXYLPHENYL ESTERS AND MIXTURES OF LIQUID CRYSTALS CONTAINING THEM MERCK PATENT GmbH (DE) 1982-12-15 EP disclosed
EP-0022882-A1 Anisotropic carboxylic-acid-4-cyclohexylphenyl esters and mixtures of liquid crystals containing them MERCK PATENT GmbH (DE) 1981-01-28 EP disclosed