SCHEMBL24922760

SCHEMBL24922760

CCOCOc1ccc(C)cc1Cc1cc(C)ccc1OCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.38
VDR P11473 1/20 0.37
TSHR P16473 5/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
POLB P06746 3/20 0.36
PKM P14618 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
F2 P00734 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
SCHEMBL22289405 0.89 ALDH1A1 (0.54) ALDH1A1GLATDP1VDRTSHR
SCHEMBL13287200 0.83 ALDH1A1 (0.48) ALDH1A1GLATDP1VDRTSHR
SCHEMBL13103244 0.83 ALDH1A1 (0.48) ALDH1A1GLATDP1VDRTSHR
SCHEMBL2738457 0.83 ALDH1A1 (0.48) ALDH1A1GLATDP1VDRTSHR
SCHEMBL28804591 0.82 ALDH1A1 (0.53) ALDH1A1GLATDP1VDRTSHR
SCHEMBL22304521 0.79 ALDH1A1 (0.43) ALDH1A1GLATDP1VDRTSHR
SCHEMBL7953349 0.76 ALDH1A1 (0.64) ALDH1A1GLATDP1VDRTSHR
SCHEMBL27131262 0.76 ALDH1A1 (0.59) ALDH1A1GLATDP1VDRTSHR
SCHEMBL7953345 0.76 ALDH1A1 (0.64) ALDH1A1GLATDP1VDRTSHR
SCHEMBL262508 0.76 ALDH1A1 (0.64) ALDH1A1GLATDP1VDRTSHR

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
EP-3917983-B1 BETA-HYDROXYPHOSPHONATE FUNCTIONALIZED POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2023-02-01 EP disclosed