SCHEMBL10698312

SCHEMBL10698312

[CH2]c1cc(C)cc(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
TSHR P16473 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CA2 P00918 1/20 0.36
TYR P14679 1/20 0.36
HTR1D P28221 4/20 0.35
HSPA5 P11021 1/20 0.33
TACR1 P25103 1/20 0.33
HTR1B P28222 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31

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
SCHEMBL1719781 0.84 GABRA1 (0.52) POLBTSHRRXRARXRBGABRA1
SCHEMBL1655430 0.81 GABRA1 (0.55) POLBTSHRRXRARXRBGABRA1
SCHEMBL316288 0.81 TSHR (0.50) POLBTSHRRXRARXRBGABRA1
Formaldehyde SCHEMBL27921022 0.79 RXRB (0.46) POLBTSHRRXRARXRBGABRA1
SCHEMBL16957508 0.78 RAPGEF4 (0.42) PGK1PGK2MAPT
SCHEMBL2786875 0.76 SHBG (0.39) SMN1; SMN2ALDH1A1CYP2C9HIF1ATP53
SCHEMBL2811957 0.74
SCHEMBL395943 0.74
SCHEMBL28522118 0.74 RXRB (0.60) POLBTSHRRXRARXRBGABRA1
SCHEMBL16956188 0.73 GABRA1 (0.37) POLBGABRA1GABRB2HTR1DMAPT

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-104870461-A Catalyst and process for preparing same BOREALIS AG 2015-08-26 CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-0275108-A2 Colour-developing sheet for pressure-sensitive recording, and colour-developing material therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1988-07-20 EP disclosed