SCHEMBL11208792

SCHEMBL11208792

CCCCC1CCC2CC(C(=O)O)CCC2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
TLR4 O00206 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR2 P41597 1/20 0.36
GAA P10253 2/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL11208791 1.00 POLB (0.43) POLBHPGDLMNAHTTMAPK1
SCHEMBL6459237 0.95 TP53 (0.45) POLBHPGDLMNAHTTMAPK1
SCHEMBL6459239 0.95 TP53 (0.45) POLBHPGDLMNAHTTMAPK1
SCHEMBL11212397 0.94 TP53 (0.47) POLBHPGDLMNAHTTMAPK1
SCHEMBL11212393 0.94 TP53 (0.47) POLBHPGDLMNAHTTMAPK1
SCHEMBL10828238 0.92 HTT (0.43) POLBHPGDLMNAHTTMAPK1
Hydrochloric Acid SCHEMBL10828262 0.91 HTT (0.42) POLBHPGDLMNAHTTMAPK1
SCHEMBL5599221 0.90 LMNA (0.41) POLBHPGDLMNAMAPTTP53
SCHEMBL6459367 0.90 LMNA (0.41) POLBHPGDLMNAMAPTTP53
SCHEMBL5599223 0.90 LMNA (0.41) POLBHPGDLMNAMAPTTP53

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-4391731-A Hydrogenated naphthalenes HOFFMANN-LA ROCHE INC. (US) 1983-07-05 US disclosed