SCHEMBL9758567

SCHEMBL9758567

CCCCCC1(C(=O)OC)CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TLR4 O00206 1/20 0.36
NAAA Q02083 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 2/20 0.31
POLA1 P09884 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 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
SCHEMBL9758596 0.99 CYP4F2 (0.47) CYP4F2CYP4A11TLR4NAAACYP1A2
SCHEMBL9758882 0.95 CYP4F2 (0.44) CYP4F2CYP4A11TLR4NAAACYP1A2
SCHEMBL9758351 0.95 CYP4F2 (0.44) CYP4F2CYP4A11NAAACYP1A2CYP2D6
SCHEMBL9757879 0.93 CYP4F2 (0.38) CYP4F2CYP4A11TLR4NAAACYP1A2
SCHEMBL9758136 0.93 CYP4F2 (0.47) CYP4F2CYP4A11NAAACYP1A2CYP2D6
SCHEMBL9757769 0.93 CYP4F2 (0.47) CYP4F2CYP4A11NAAACYP1A2CYP2D6
SCHEMBL9759157 0.93 CYP4F2 (0.47) CYP4F2CYP4A11NAAACYP1A2CYP2D6
SCHEMBL9759370 0.93 CYP4F2 (0.47) CYP4F2CYP4A11NAAACYP1A2CYP2D6
SCHEMBL9757893 0.92 CYP4F2 (0.40) CYP4F2CYP4A11TLR4NAAACYP1A2
SCHEMBL9758221 0.90 CYP4F2 (0.46) CYP4F2CYP4A11NAAAPOLA1

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