SCHEMBL22017523

SCHEMBL22017523

Cc1cc(O)ccc1OC(=O)c1ccc(OCC2CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL9923604 0.90 ALDH1A1 (0.45) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL9923598 0.85 PARP15 (0.46) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL26247837 0.83 KMT2A (0.39) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL12566213 0.82 MAPT (0.41) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL14063055 0.82 ALDH1A1 (0.42) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL16172287 0.82 KMT2A (0.40) RAB9ASMN1; SMN2LMNAALDH1A1TP53
SCHEMBL14363568 0.82 ALDH1A1 (0.49) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL12332456 0.81 VDR (0.45) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL9483425 0.80 ALDH1A1 (0.55) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL12924442 0.80 ALDH1A1 (0.55) RAB9ASMN1; SMN2NPC1LMNAALDH1A1

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-3653660-A1 THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER, THERMALLY CONDUCTIVE MATERIAL FORMATION COMPOSITION, DISC-SHAPED LIQUID CRYSTAL COMPOUND FUJIFILM Corporation (JP) 2020-05-20 EP disclosed