SCHEMBL22161983

SCHEMBL22161983

CCOc1ccc(-c2ccc(C3CCC(C=O)CC3)cc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
NAAA Q02083 2/20 0.40
HRH3 Q9Y5N1 1/20 0.36
FFAR1 O14842 2/20 0.35
PPARD Q03181 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.34
PDE4A P27815 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ERN1 O75460 2/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
DGAT1 O75907 1/20 0.34
TUBB1 Q9H4B7 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
SCHEMBL20803726 0.88 KDM1A (0.46) KDM1ANAAAHRH3FFAR1PPARD
SCHEMBL20803586 0.88 KDM1A (0.46) KDM1ANAAAHRH3FFAR1PPARD
SCHEMBL20803595 0.88 KDM1A (0.46) KDM1ANAAAHRH3FFAR1PPARD
SCHEMBL20803723 0.87 KDM1A (0.45) KDM1ANAAAHRH3FFAR1PPARD
SCHEMBL8962990 0.86 KDM1A (0.44) KDM1ANAAAHRH3FFAR1PPARD
SCHEMBL8962982 0.86 KDM1A (0.44) KDM1ANAAAHRH3FFAR1PPARD
SCHEMBL20803658 0.85 KDM1A (0.43) KDM1ANAAAHRH3FFAR1PPARD
SCHEMBL11895211 0.83 KDM1A (0.35) KDM1APDE4A
SCHEMBL20803734 0.83 KDM1A (0.42) KDM1ANAAAHRH3
SCHEMBL20803742 0.83 KDM1A (0.42) KDM1ANAAAHRH3FFAR1PPARD

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-20200199451-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-06-25 US disclosed