SCHEMBL8741682

SCHEMBL8741682

CCCCCC(=Cc1ccccc1)CCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
TDP1 Q9NUW8 1/20 0.60
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
PTGS2 P35354 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EGFR P00533 1/20 0.41
EPHX2 P34913 1/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 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
SCHEMBL10899485 0.98 TDP1 (0.63) LMNATDP1CES2CES1PTGS2
SCHEMBL30439628 0.98 LMNA (0.64) LMNATDP1CES2CES1PTGS2
SCHEMBL27498332 0.96 TDP1 (0.65) LMNATDP1CES2CES1MEN1
SCHEMBL30225789 0.96 TDP1 (0.65) LMNATDP1CES2CES1MEN1
SCHEMBL28297913 0.96 TDP1 (0.65) LMNATDP1CES2CES1MEN1
SCHEMBL28702570 0.96 TDP1 (0.65) LMNATDP1CES2CES1MEN1
SCHEMBL30439792 0.96 TDP1 (0.65) LMNATDP1CES2CES1MEN1
SCHEMBL93497 0.96 LMNA (0.56) LMNATDP1CES2CES1PTGS2
SCHEMBL9311873 0.92 LMNA (0.53) LMNATDP1CES2CES1PTGS2
SCHEMBL6859722 0.91 LMNA (0.60) LMNATDP1CES2CES1PTGS2

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
CN-101679735-B Thermoplastic molding composition based on AES rubber with low surface gloss BAYER MATERIALSCIENCE LLC 2012-08-22 CN disclosed
CN-101679735-A Thermoplastic composition with low surface gloss based on AES rubber BAYER MATERIALSCIENCE LLC 2010-03-24 CN disclosed
WO-1997014947-A2 CONTAINER FOR CALIBRATION FLUID LION LABORATORIES PLC (GB) 1997-04-24 WO disclosed