SCHEMBL21638945

SCHEMBL21638945

OC1(OCc2ccccc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
IDO1 P14902 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
AGXT P21549 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2237483 0.98 TSHR (0.41) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL5139043 0.96 TSHR (0.43) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL2126979 0.84 TSHR (0.45) TSHROPRM1LMNASLC6A2SLC6A3
SCHEMBL9720395 0.79 CA1 (0.41) IDO1CYP2C19OPRM1OPRL1MEN1
SCHEMBL6831608 0.78 CA2 (0.44) TSHRALDH1A1
SCHEMBL10942039 0.78 TSHR (0.44) TSHRIDO1OPRM1OPRD1OPRK1
SCHEMBL28312015 0.77 IDO1 (0.46) IDO1MEN1KMT2AALDH1A1LMNA
SCHEMBL19745328 0.77 SLC1A3 (0.45) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL3411538 0.76 MAOA (0.45) TSHRIDO1OPRM1OPRD1OPRK1
SCHEMBL3985723 0.74 MAOA (0.44) TSHRIDO1OPRM1OPRD1OPRK1

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-3599849-A1 LOW TEMPERATURE INDICATOR MIXTURE, DEVICE AND METHOD FOR MONITORING A TEMPERATURE TRANSITION AT LOW TEMPERATURES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2020-02-05 EP claimed