SCHEMBL16579166

SCHEMBL16579166

CCC1CCC(c2ccc(OC(=O)C3CCC(C4CCC(CC)CC4)CC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
F2 P00734 1/20 0.44
ELANE P08246 2/20 0.43
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL11406644 0.96 HTT (0.51) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL13164951 0.95 HTT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL16579168 0.95 HTT (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9964624 0.94 CYP2C9 (0.51) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL16579169 0.94 CYP2C9 (0.51) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL27348977 0.94 KMT2A (0.48) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL16579170 0.92 CYP2C9 (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11406313 0.91 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11416031 0.91 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL10909932 0.90 CYP2C9 (0.54) HTTKMT2ASMN1; SMN2TDP1F2

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
US-9222023-B2 Liquid crystal composition and display device thereof JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2015-12-29 US disclosed
US-20150076405-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2015-03-19 US disclosed