SCHEMBL11458448

SCHEMBL11458448

O=C(c1cc(Cc2ccccc2)c(O)c(Cc2c(O)c(Cc3ccccc3)cc(C(=O)C(F)(F)F)c2O)c1O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.50
PTPN1 P18031 3/20 0.49
PTPN2 P17706 1/20 0.49
PTPN6 P29350 1/20 0.49
BCL2L1 Q07817 1/20 0.41
ALOX5 P09917 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL11457691 0.77 PRKCI (0.36) PTPN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL11469231 0.74 TYR (0.37) ALOX5
SCHEMBL28707306 0.73 PTPN1 (0.73) BCL2PTPN1PTPN2PTPN6BCL2L1
SCHEMBL11466492 0.72 ALOX5 (0.40) BCL2L1ALOX5POLB
SCHEMBL11458342 0.72 HMGB1 (0.39) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL11464682 0.72 HSD17B10 (0.44) HDAC1HDAC6POLBGPR35
SCHEMBL4906876 0.72 PTPN1 (0.60) BCL2PTPN1PTPN2PTPN6BCL2L1
SCHEMBL11458745 0.69 HSPA5 (0.36) BCL2PTPN1PTPN2PTPN6HDAC3
SCHEMBL11208758 0.69 PTPN1 (0.57) BCL2PTPN1PTPN2PTPN6BCL2L1
SCHEMBL15314345 0.69 BCL2 (0.61) BCL2PTPN1PTPN2PTPN6BCL2L1

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
US-4225619-A BACTERICIDES, FUNGICIDES BOEHRINGER INGELHEIM GMBH (DE) 1980-09-30 US disclosed