SCHEMBL9516007

SCHEMBL9516007

O=C(C=[PH3])OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.65
LMNA P02545 3/20 0.61
ALDH1A1 P00352 5/20 0.57
CA12 O43570 2/20 0.56
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
CA9 Q16790 2/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
TTR P02766 1/20 0.50

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
SCHEMBL357565 0.83 HCAR2 (0.89) HCAR2LMNAALDH1A1CA12AKR1B10
SCHEMBL337503 0.83 HCAR2 (0.89) HCAR2LMNAALDH1A1CA12AKR1B10
SCHEMBL9395526 0.83 HCAR2 (0.69) HCAR2LMNAALDH1A1CA12AKR1B10
SCHEMBL337504 0.83 HCAR2 (0.89) HCAR2LMNAALDH1A1CA12AKR1B10
SCHEMBL26288 0.82 HCAR2 (0.67) HCAR2LMNAALDH1A1CA12AKR1B10
SCHEMBL27659194 0.82 HCAR2 (0.85) HCAR2LMNAALDH1A1CA12AKR1B10
SCHEMBL10513327 0.80 HCAR2 (0.65) HCAR2LMNAALDH1A1CA12AKR1B10
SCHEMBL812094 0.80 HCAR2 (0.65) HCAR2LMNAALDH1A1CA12AKR1B10
SCHEMBL14940404 0.80 HCAR2 (0.65) HCAR2LMNAALDH1A1CA12AKR1B10
SCHEMBL9515999 0.80 HCAR2 (0.65) HCAR2LMNAALDH1A1CA12AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0136721-B1 Carboxyalkenamidocephalosporins SHIONOGI & CO (JP) 1993-12-29 EP disclosed
US-4912224-A Containing a aminothiazolyl or aminothiadiazolyl ring SHIONOGI & CO., LTD. (JP) 1990-03-27 US disclosed
US-4748170-A Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1988-05-31 US disclosed
US-4634697-A Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1987-01-06 US disclosed
EP-0136721-A2 Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1985-04-10 EP disclosed