SCHEMBL10542829

SCHEMBL10542829

CCCCOC(OCC)(OCC)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE4D Q08499 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL19025369 0.82 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL10538536 0.78 CYP4F2 (0.44) ALDH1A1ATMMAPTTSHRHPGD
SCHEMBL17363976 0.75 ALDH1A1 (0.41) ALDH1A1ATMRAB9AMAPTNPSR1
SCHEMBL4283572 0.74 ALOX15 (0.39) ALDH1A1ALOX15
SCHEMBL28702641 0.72 ALDH1A1 (0.43) ALDH1A1ATMADRB2ADRB1ADRB3
SCHEMBL10794662 0.72 ALDH1A1 (0.39) ALDH1A1ATMRAB9AMAPTNPSR1
SCHEMBL10779846 0.69 ALDH1A1 (0.40) ALDH1A1ATMMAPTTSHRHPGD
SCHEMBL10776893 0.69 ALDH1A1 (0.40) ALDH1A1ATMADRB2ADRB1ADRB3
SCHEMBL10774285 0.69 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDCES2
SCHEMBL28006927 0.69 FDPS (0.36) ALDH1A1ATMMAPTCA1CA2

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-4798612-A Modified succinimides (x) CHEVRON RESEARCH COMPANY (US) 1989-01-17 US disclosed
US-4680129-A Modified succinimides (x) CHEVRON RESEARCH COMPANY (US) 1987-07-14 US disclosed