SCHEMBL11720174

SCHEMBL11720174

CCCCC([C](C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 4/20 0.37
ALDH1A1 P00352 2/20 0.36
DNM1 Q05193 2/20 0.35
FDPS P14324 2/20 0.34
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL18613982 0.93 LMNA (0.39) CA2CA1FDPSHSPD1BLM
SCHEMBL18301373 0.91 LMNA (0.43) CA2DNM1FDPSHSPD1BLM
SCHEMBL11067651 0.91 LMNA (0.43) CA2DNM1FDPSHSPD1BLM
SCHEMBL18613882 0.84 CA1 (0.34) CA2CA1TDP1
SCHEMBL5614423 0.81 CA2 (0.35) CA2MAPK1CA1ALDH1A1DNM1
SCHEMBL14142959 0.81 CA2 (0.45) CA2MAPK1CA1FDPSSLC1A3
SCHEMBL16393984 0.80
SCHEMBL359407 0.79 ALDH1A1 (0.47) CA2MAPK1CA1ALDH1A1TDP1
SCHEMBL5315634 0.78 LMNA (0.40) BLMLMNA
SCHEMBL3286726 0.78 CA2 (0.33) CA2MAPK1CA1ALDH1A1DNM1

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
WO-2017044889-A1 LRH-1 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-16 WO disclosed
US-4036794-A SUSPENSION POLYMERIZATION, BLOWING AGENTS, STABILIZERS BASF AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed