SCHEMBL2403898

SCHEMBL2403898

C=C(CCCN(CC1CCCO1)CC1CCCO1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 5/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
OXTR P30559 3/20 0.36
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
AVPR1A P37288 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2398934 0.96 HPGD (0.41) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2399605 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2401060 0.79 TBXAS1 (0.31) ALDH1A1
SCHEMBL134536 0.77 ALDH1A1 (0.45) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL19808792 0.74 HTR2A (0.38) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2398931 0.74 ALDH1A1 (0.39) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2398936 0.74 ALDH1A1 (0.39) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL611304 0.73 ALDH1A1 (0.42) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL610992 0.73 LMNA (0.56) ALDH1A1LMNAUSP2SMN1; SMN2HPGD
SCHEMBL150652 0.73 ALDH1A1 (0.44) ALDH1A1LMNAPOLBUSP2SMN1; SMN2

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
US-9315608-B2 Conjugated diene polymer rubber, and conjugated diene polymer rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20140206811-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-24 US disclosed
US-20110237737-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-29 US disclosed