SCHEMBL2398936

SCHEMBL2398936

CC(=CCCCN(CC1CCCO1)CC1CCCO1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
OXTR P30559 2/20 0.34
AVPR1A P37288 1/20 0.33
RORC P51449 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
SCHEMBL2398931 1.00 ALDH1A1 (0.39) ALDH1A1LMNAPOLBKMT2AUSP2
SCHEMBL2401062 0.85 CD81 (0.35) ALDH1A1
SCHEMBL2401055 0.85 CD81 (0.35) ALDH1A1
SCHEMBL134537 0.75 ALDH1A1 (0.44) ALDH1A1LMNAPOLBKMT2AUSP2
SCHEMBL150432 0.75 ALDH1A1 (0.44) ALDH1A1LMNAPOLBKMT2AUSP2
SCHEMBL2403898 0.74 ALDH1A1 (0.42) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL4947327 0.73 LMNA (0.64) ALDH1A1LMNAPOLB
SCHEMBL2398934 0.73 HPGD (0.41) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
Oxirane SCHEMBL1901298 0.73 ALDH1A1 (0.42) ALDH1A1LMNAPOLBKMT2AUSP2
SCHEMBL7700749 0.71 ALDH1A1 (0.40) ALDH1A1LMNAPOLBKMT2A

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