SCHEMBL10583258

SCHEMBL10583258

CC=CCC=CCC=CCCCCCCCCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
SOAT1 P35610 1/20 0.46
CNR1 P21554 2/20 0.42
ALDH1A1 P00352 8/20 0.41
F7 P08709 5/20 0.41
F3 P13726 5/20 0.41
CYP19A1 P11511 3/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
MAPT P10636 3/20 0.41
OXER1 Q8TDS5 2/20 0.41
FFAR1 O14842 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
PTGS1 P23219 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL24936527 1.00 KDM4E (0.46) KDM4ESOAT1CNR1ALDH1A1F7
SCHEMBL3628134 0.88 CNR1 (0.39) KDM4ESOAT1CNR1ALDH1A1F7
SCHEMBL3627530 0.88 CNR1 (0.39) KDM4ESOAT1CNR1ALDH1A1F7
SCHEMBL3628136 0.88 CNR1 (0.39) KDM4ESOAT1CNR1ALDH1A1F7
SCHEMBL3627529 0.88 CNR1 (0.39) KDM4ESOAT1CNR1ALDH1A1F7
SCHEMBL1023632 0.88 SLC6A5 (0.44) SOAT1ALDH1A1LMNACYP3A4MEN1
SCHEMBL466635 0.85
SCHEMBL7909548 0.85
SCHEMBL20859604 0.85 DNM1 (0.44) ALDH1A1LMNAMEN1BLMKMT2A
SCHEMBL467031 0.85 DNM1 (0.44) ALDH1A1LMNAMEN1BLMKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839441-A MOLDING MATERIALS ATOCHEM (FR) 1989-06-13 US disclosed