SCHEMBL28314964

SCHEMBL28314964

CN(C)Cc1ccc(O)cc1.[CH2]C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
TAAR1 Q96RJ0 1/20 0.50
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
ESR1 P03372 5/20 0.46
ESR2 Q92731 3/20 0.46
ALDH2 P05091 1/20 0.44
MTOR P42345 1/20 0.43
ABAT P80404 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL19206134 0.95 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL116611 0.95 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL28611070 0.93 HRH3 (0.61) HRH3ALDH1A1TSHRTAAR1NOS3
Hydrochloric Acid SCHEMBL27583166 0.93 HRH3 (0.61) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL28720286 0.88 HRH3 (0.77) HRH3ALDH1A1TSHRTAAR1NOS3
Butane SCHEMBL27686347 0.88 HRH3 (0.56) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL28271160 0.86 HRH3 (0.54) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL659509 0.82 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL9416592 0.80 BCHE (0.53) HRH3ALDH1A1TAAR1ESR1ESR2
SCHEMBL2879776 0.80 ALOX15 (0.65) HRH3ALDH1A1TSHRTAAR1NOS3

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-110194843-A Phosphorous phenoxy resin, resin combination, circuit board use material and hardening thing 日铁化学材料株式会社 2019-09-03 CN disclosed