SCHEMBL7199575

SCHEMBL7199575

CCCCC(CC)CO.[LiH]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.95
LMNA P02545 2/20 0.61
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 5/20 0.52
TSHR P16473 4/20 0.52
CA2 P00918 5/20 0.48
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8420801 0.97
SCHEMBL16324 0.97
SCHEMBL9492501 0.97
SCHEMBL6249719 0.97 ALDH1A1 (1.00) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL23087843 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL6712852 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL10822529 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
Butane SCHEMBL21384927 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL22664580 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL9417630 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR

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-103228683-A Process for preparation of diene polymers or statistical vinylarene-iene copolymers POLIMERI EUROPA SPA 2013-07-31 CN disclosed
US-6599960-B1 For making dental impressions ESPE DENTAL AG (DE) 2003-07-29 US disclosed
US-4113649-A Method for the solubilizing of alkali metal salts with polyethyleneglycoldiethers and the utilization thereof STUDIENGESELLSCHAFT KOHLE MBH (DE) 1978-09-12 US disclosed