SCHEMBL6894129

SCHEMBL6894129

C(OCC1CO1)C1CO1.Oc1ccccc1Oc1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.40
JAK2 O60674 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MGLL Q99685 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Catechol SCHEMBL679936 0.87 TDP1 (0.52) ALDH1A1GLATDP1LMNAMAPT
Guaiacol SCHEMBL249368 0.87 TP53 (0.58) ALDH1A1GLATDP1GAAJAK2
SCHEMBL394006 0.82 TDP1 (0.47) ALDH1A1GLATDP1TSHRTP53
SCHEMBL3858634 0.82 ALDH1A1 (0.66) ALDH1A1GLATDP1GAAJAK2
Orthocresol SCHEMBL1287877 0.81 ALDH1A1 (0.54) ALDH1A1GLATDP1MAPTTSHR
SCHEMBL2301121 0.79 HSPA5 (0.55) ALDH1A1GLATDP1TSHRTP53
Ethane SCHEMBL9175082 0.79 ALDH1A1 (0.67) ALDH1A1GLATDP1GAAJAK2
Questiomycin B SCHEMBL28007145 0.79 TSHR (0.52) ALDH1A1GLATDP1TSHRTP53
2-Chlorophenol SCHEMBL8863363 0.79 ALDH1A1 (0.52) ALDH1A1GLATDP1TSHRTP53
SCHEMBL729500 0.79 TSHR (0.46) ALDH1A1GLATDP1MAPTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112088200-A Use of mixtures as dielectric fluids 阿科玛法国公司 2020-12-15 CN disclosed
US-6733880-B2 HEAT RESISTANT THERMOPLASTIC RESIN, EPOXY RESIN AND TRIPHENOL CURING AGENT; RELIABLE LOW TEMPERATURES BONDING HITACHI CHEMICAL CO., LTD. (JP) 2004-05-11 US disclosed
US-20030062630-A1 Adhesive film for semiconductor, lead frame with adhesive film for semiconductor and semiconductor device using the same HITACHI CHEMICAL CO., LTD. (JP) 2003-04-03 US disclosed