SCHEMBL11247248

SCHEMBL11247248

CCc1c(C)cc(Cc2ccccc2)c(CC)c1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
TP53 P04637 1/20 0.41
CALM1 P0DP23 1/20 0.39
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.38
HTR2A P28223 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL11247239 0.87 IDH1 (0.41) BCL2BCL2L1TP53CALM1LDHA
SCHEMBL28009449 0.81 BCL2 (0.45) BCL2BCL2L1CALM1LDHALDHB
Hydrochloric Acid SCHEMBL5181262 0.79 BCL2 (0.40) BCL2BCL2L1TP53CALM1CYP3A4
SCHEMBL11198850 0.79 SLC5A2 (0.42) BCL2BCL2L1TP53CALM1ALOX5
SCHEMBL8092285 0.78 BCL2 (0.54) BCL2BCL2L1CALM1LDHALDHB
SCHEMBL9746190 0.77 TP53 (0.44) BCL2BCL2L1TP53CALM1CYP3A4
SCHEMBL28865989 0.76 TP53 (0.48) BCL2BCL2L1TP53CALM1ALOX5
SCHEMBL8097110 0.75 NOS3 (0.40) ALOX15HIF1AHSD17B10
SCHEMBL11748855 0.74 BCL2 (0.50) BCL2BCL2L1CALM1LDHALDHB
SCHEMBL10599555 0.74 TP53 (0.50) BCL2BCL2L1TP53CALM1HTR2A

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-4327040-A BASIC CATALYZED REACTION OF PROPARGYL ALCOHOL WITH A PHOSPHORIC ACID CHLORIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed