SCHEMBL31106173

SCHEMBL31106173

O=C(OCc1ccccc1)c1ccc2ccccc2c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.65
▸ CYP1A1 P04798 1/20 0.58
▸ CYP1B1 Q16678 1/20 0.58
▸ LDHA P00338 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CFTR P13569 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ PSEN1 P49768 1/20 0.51
▸ PSEN2 P49810 1/20 0.51
▸ APH1B Q8WW43 1/20 0.51
▸ NCSTN Q92542 1/20 0.51
▸ APH1A Q96BI3 1/20 0.51

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
SCHEMBL1098277 1.00 EGLN1 (0.65) EGLN1CYP1A1CYP1B1LDHATDP1
SCHEMBL6206373 0.86 PSEN1 (0.60) EGLN1CYP1A1CYP1B1KMT2AKDM4E
SCHEMBL19669288 0.85 TDP1 (0.71) EGLN1TDP1ALDH1A1KMT2ARAB9A
SCHEMBL28396741 0.85 ALDH1A1 (0.55) EGLN1CYP1A1CYP1B1TDP1CFTR
SCHEMBL29134058 0.84 ALDH1A1 (0.54) EGLN1CYP1A1CYP1B1TDP1ALDH1A1
SCHEMBL7631724 0.84 ALDH1A1 (0.58) EGLN1CYP1A1CYP1B1LDHATDP1
SCHEMBL3048365 0.83 ALDH1A1 (0.65) EGLN1TDP1ALDH1A1KMT2AKDM4E
SCHEMBL1681013 0.82 EGLN1 (0.55) EGLN1TDP1ALDH1A1KMT2AKDM4E
SCHEMBL6665902 0.82 ALDH1A1 (0.68) EGLN1TDP1ALDH1A1KMT2ARAB9A
SCHEMBL8773458 0.81 HCRTR1 (0.62) LDHATDP1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677225-B Device for producing a gaseous active ingredient or a gaseous active ingredient mixture 卢克斯坎创新私人有限责任公司 2024-10-25 — — CN disclosed
CN-113873903-B Method for qualitatively and/or quantitatively detecting substances contained in cannabis plants and kit for use therein 卢克斯坎创新私人有限责任公司 2024-09-24 — — CN disclosed
Send feedback