SCHEMBL4879220

SCHEMBL4879220

CCCCCCC(=Cc1ccccc1)CCl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.55
EGFR P00533 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
EPHX2 P34913 2/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39

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
SCHEMBL6859832 0.98 LMNA (0.57) TDP1LMNAEGFRCES2CES1
SCHEMBL28297913 0.90 TDP1 (0.65) TDP1LMNAEGFRCES2CES1
SCHEMBL28702570 0.90 TDP1 (0.65) TDP1LMNAEGFRCES2CES1
SCHEMBL27498332 0.90 TDP1 (0.65) TDP1LMNAEGFRCES2CES1
SCHEMBL30225789 0.90 TDP1 (0.65) TDP1LMNAEGFRCES2CES1
SCHEMBL30439792 0.90 TDP1 (0.65) TDP1LMNAEGFRCES2CES1
SCHEMBL10899485 0.88 TDP1 (0.63) TDP1LMNAEGFRCES2CES1
SCHEMBL30439628 0.88 LMNA (0.64) TDP1LMNAEGFRCES2CES1
SCHEMBL9311704 0.86 TDP1 (0.61) TDP1LMNAEGFRCES2CES1
SCHEMBL10899476 0.86 TDP1 (0.61) TDP1LMNAEGFRCES2CES1

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-20080269440-A1 Polymerization of Olefins UNIVERSITY OF MASSACHUSETTS 2008-10-30 US disclosed
WO-2006074211-A1 POLYMERIZATION OF OLEFINS UNIVERSITY OF MASSACHUSETTS (US) 2006-07-13 WO disclosed