SCHEMBL2633085

SCHEMBL2633085

Cc1cc(-c2ccc(C(C)O)cc2)n(-c2ccc(S)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.32
PTPN5 P54829 1/20 0.31
CHRNA7 P36544 2/20 0.30
UGT2B7 P16662 1/20 0.30

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
SCHEMBL3445658 0.80 CHRNA7 (0.52) LMNACHRNA7
SCHEMBL20207777 0.73 NOS3 (0.45) PGRALDH1A1LMNAPOLBRECQL
SCHEMBL2212367 0.73 NOS3 (0.45) PGRALDH1A1LMNAPOLBRECQL
SCHEMBL10211384 0.72 MAPT (0.43) ALDH1A1LMNAMAPT
SCHEMBL12807984 0.65 PTPN5 (0.47) PGRALDH1A1PTPN5CHRNA7UGT2B7
SCHEMBL28483628 0.65 PTPN5 (0.47) PGRALDH1A1PTPN5CHRNA7UGT2B7
Acetic Acid SCHEMBL9711169 0.64 NOS3 (0.42) ALDH1A1LMNAPTPN5UGT2B7
SCHEMBL17916163 0.64 ALDH1A1 (0.52) ALDH1A1
SCHEMBL29861308 0.64 PTPN5 (0.53) PGRALDH1A1PTPN5UGT2B7
SCHEMBL7524578 0.64 PTPN5 (0.53) PGRALDH1A1PTPN5UGT2B7

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-2444421-A1 P-Cadherin antibodies Pfizer Inc. (US) 2012-04-25 EP disclosed