SCHEMBL28637299

SCHEMBL28637299

COc1ccccc1-c1cc(CCO)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.46
ALDH1A1 P00352 10/20 0.46
HSD17B10 Q99714 10/20 0.46
KDM4E B2RXH2 9/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 8/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 2/20 0.40
SLC9A1 P19634 1/20 0.40
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
HTR7 P34969 3/20 0.39

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
SCHEMBL28598352 0.73 TDP1 (0.48) HPGDALDH1A1HSD17B10KDM4ETDP1
SCHEMBL3110181 0.66 ALDH1A1 (0.49) HPGDALDH1A1HSD17B10KDM4ETDP1
SCHEMBL3743489 0.65 PTPRC (0.58) HPGDALDH1A1KDM4ETDP1MAPT
SCHEMBL9670054 0.65 NPC1 (0.64) HPGDALDH1A1HSD17B10KDM4ETDP1
SCHEMBL29474956 0.64 TAAR1 (0.64) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL852646 0.64 TAAR1 (0.64) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL29429633 0.64 CA1 (0.71) HPGDALDH1A1HSD17B10KDM4ETDP1
SCHEMBL301996 0.64 CA1 (0.71) HPGDALDH1A1HSD17B10KDM4ETDP1
SCHEMBL29788337 0.64 CA1 (0.71) HPGDALDH1A1HSD17B10KDM4ETDP1
SCHEMBL26659934 0.64 FYN (0.56) HPGDALDH1A1HSD17B10KDM4ETDP1

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
CN-113444061-A Synthetic method of mono-substituted or di-substituted furan derivative 广东石油化工学院 2021-09-28 CN disclosed