SCHEMBL10488795

SCHEMBL10488795

COCCC(OC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 6/20 0.40
TSHR P16473 5/20 0.40
CYP1A2 P05177 5/20 0.40
CYP2D6 P10635 5/20 0.40
CYP3A4 P08684 4/20 0.40
SLC6A3 Q01959 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
PMP22 Q01453 2/20 0.39
ALDH1A1 P00352 2/20 0.38
AOC3 Q16853 1/20 0.38
HTR2A P28223 5/20 0.37
HRH1 P35367 5/20 0.37
CHRM1 P11229 3/20 0.37
ADRA2B P18089 3/20 0.37
HTR2C P28335 3/20 0.37
OPRM1 P35372 3/20 0.37

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
SCHEMBL15658179 0.88 ALDH1A1 (0.43) HPGDSLC6A4SLC6A2TSHRCYP1A2
SCHEMBL10724566 0.86 ALDH1A1 (0.42) HPGDSLC6A4SLC6A2TSHRCYP1A2
SCHEMBL20912965 0.83 HTR2C (0.40) HPGDSLC6A4SLC6A2TSHRCYP1A2
SCHEMBL8095037 0.83 HTR2C (0.40) HPGDSLC6A4SLC6A2TSHRCYP1A2
SCHEMBL6094770 0.82 AOC3 (0.37) HPGDSLC6A4SLC6A2KMT2AMEN1
SCHEMBL8735234 0.81 SLC6A4 (0.37) HPGDSLC6A4SLC6A2TSHRCYP1A2
SCHEMBL1098807 0.81 AOC3 (0.43) SLC6A4SLC6A2TSHRCYP1A2CYP2D6
SCHEMBL792175 0.80 HRH1 (0.50) HPGDSLC6A4SLC6A2CYP1A2CYP2D6
SCHEMBL3684962 0.80 AOC3 (0.54) SLC6A4SLC6A2CYP2D6SLC6A3AOC3
SCHEMBL3685753 0.80 AOC3 (0.54) SLC6A4SLC6A2SLC6A3ALDH1A1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1016740-A None JP disclosed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
CN-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
CN-103502315-A Composition and polymer ASAHI KASEI CHEMICALS CORP 2014-01-08 CN disclosed