SCHEMBL27438682

SCHEMBL27438682

CCCOc1ccc(OC(=O)C2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HTT P42858 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
POLB P06746 2/20 0.55
ELANE P08246 1/20 0.55
MEN1 O00255 3/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.48
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL18551974 0.88 KMT2A (0.66) KMT2ASMN1; SMN2HTTTDP1POLB
SCHEMBL11642256 0.86 KMT2A (0.68) KMT2ASMN1; SMN2HTTTDP1POLB
SCHEMBL4544903 0.86 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL9638195 0.84 KMT2A (0.49) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL9638200 0.84 KMT2A (0.49) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL11646690 0.84 POLB (0.59) KMT2ASMN1; SMN2HTTTDP1POLB
SCHEMBL27317334 0.84 KMT2A (0.49) KMT2ASMN1; SMN2HTTTDP1POLB
SCHEMBL10574401 0.83 KMT2A (0.88) KMT2ASMN1; SMN2HTTTDP1POLB
SCHEMBL11406689 0.83 KMT2A (0.47) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7165351 0.83 TP53 (0.48) KMT2ASMN1; SMN2HTTTDP1TSHR

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-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed