SCHEMBL22102172

SCHEMBL22102172

CCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(C4CCC(C)CC4)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.50
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ ELANE P08246 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL11404207 0.92 KMT2A (0.50) KMT2AELANELMNATP53HTT
SCHEMBL12444455 0.88 KMT2A (0.54) KMT2AELANELMNATP53HTT
SCHEMBL26365445 0.86 ELANE (0.52) KMT2AELANEHTTSMN1; SMN2TDP1
SCHEMBL17666399 0.86 ELANE (0.49) KMT2AELANELMNAHTTSMN1; SMN2
SCHEMBL26240064 0.86 ELANE (0.49) KMT2AELANEHTTSMN1; SMN2TDP1
SCHEMBL22102176 0.85 NPC1 (0.45) KMT2AELANELMNAHTTSMN1; SMN2
SCHEMBL19577866 0.85 KMT2A (0.52) KMT2ACCNCCDK8ELANELMNA
SCHEMBL25500917 0.83 ELANE (0.51) KMT2AELANEHTTSMN1; SMN2TDP1
SCHEMBL26186181 0.83 RAB9A (0.53) KMT2AELANELMNAHTTSMN1; SMN2
SCHEMBL25500845 0.83 KMT2A (0.61) KMT2AELANEHTTSMN1; SMN2TDP1

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
US-20230383187-A1 Mesogen Compounds TRANSITIONS OPTICAL, LTD. (IE) 2023-11-30 — — US disclosed
US-11773326-B2 Mesogen compounds TRANSITIONS OPTICAL, LTD. (IE) 2023-10-03 — — US disclosed
WO-2020120282-A1 MESOGEN COMPOUNDS TRANSITIONS OPTICAL, LTD. (IE) 2020-06-18 — — WO disclosed
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