SCHEMBL9757879

SCHEMBL9757879

CCCCCC1CCC(C2CCC(CC[C@H]3CC[C@H](CCC)CC3)(C(=O)OC)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
TLR4 O00206 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
NAAA Q02083 1/20 0.34
MAPT P10636 3/20 0.33
CCR2 P41597 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL9757893 0.99 CYP4F2 (0.40) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL9758508 0.97 CYP4F2 (0.39) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL9757744 0.96 CYP4F2 (0.38) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL9758111 0.96 CYP4F2 (0.41) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL9759035 0.96 CYP4F2 (0.41) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL9759060 0.96 CYP4F2 (0.41) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL9758196 0.95 CYP4F2 (0.40) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL9758882 0.93 CYP4F2 (0.44) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL9758567 0.93 CYP4F2 (0.44) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9
SCHEMBL9757929 0.92 CYP4F2 (0.36) CYP4F2CYP4A11CYP1A2CYP2D6CYP2C9

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