SCHEMBL9685350

SCHEMBL9685350

B(c1ccccc1)c1ccccc1.CC(N)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ SLC6A2 P23975 2/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ DPP4 P27487 2/20 0.36
▸ F2 P00734 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
SCHEMBL339826 0.78 BBOX1 (0.41) LMNAALDH1A1CYP2A6
Biphenyl SCHEMBL28807835 0.76 ADRA2A (0.54) ADRA2AADRA2CLMNAHIF1AKDM4E
Benzene SCHEMBL27586265 0.74 BBOX1 (0.39) LMNAALDH1A1
SCHEMBL26417080 0.74 BBOX1 (0.39) LMNAALDH1A1
Bromide SCHEMBL9081012 0.74 BBOX1 (0.39) LMNAALDH1A1
Hydrochloric Acid SCHEMBL30702244 0.74 BBOX1 (0.39) LMNAALDH1A1
Benzene SCHEMBL28143174 0.74 LMNA (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
Toluene SCHEMBL27977943 0.74 LMNA (0.61) ADRA2AADRA2CLMNAHIF1AKDM4E
Phenol SCHEMBL5875310 0.74 CA12 (0.61) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL26500869 0.73 TYR (0.38) HIF1AKDM4EALDH1A1CYP2D6

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-0507035-A1 Meadowsweet extracts, preparation and use thereof SYNTHELABO (FR) 1992-10-07 — — EP disclosed
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