SCHEMBL9758596

SCHEMBL9758596

CCCCCCCC1(C(=O)OC)CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
TLR4 O00206 1/20 0.36
TP53 P04637 1/20 0.34
NAAA Q02083 3/20 0.33
POLA1 P09884 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DNTT P04053 1/20 0.32
POLB P06746 1/20 0.32
CETP P11597 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL9758567 0.99 CYP4F2 (0.44) CYP4F2CYP4A11TLR4TP53NAAA
SCHEMBL9758136 0.95 CYP4F2 (0.47) CYP4F2CYP4A11TP53NAAAPOLA1
SCHEMBL9757769 0.95 CYP4F2 (0.47) CYP4F2CYP4A11TP53NAAAPOLA1
SCHEMBL9759370 0.95 CYP4F2 (0.47) CYP4F2CYP4A11TP53NAAAPOLA1
SCHEMBL9759157 0.95 CYP4F2 (0.47) CYP4F2CYP4A11TP53NAAAPOLA1
SCHEMBL9757893 0.94 CYP4F2 (0.40) CYP4F2CYP4A11TLR4TP53NAAA
SCHEMBL9758882 0.93 CYP4F2 (0.44) CYP4F2CYP4A11TLR4TP53NAAA
SCHEMBL9758351 0.93 CYP4F2 (0.44) CYP4F2CYP4A11TP53NAAAHTT
SCHEMBL9757879 0.92 CYP4F2 (0.38) CYP4F2CYP4A11TLR4TP53NAAA
SCHEMBL9759035 0.91 CYP4F2 (0.41) CYP4F2CYP4A11TP53NAAAHTT

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-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed