SCHEMBL10354583

SCHEMBL10354583

Cc1cc(Cc2ccccc2)c(C)c(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
CALM1 P0DP23 1/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX5 P09917 1/20 0.41
CNR2 P34972 3/20 0.40
GPR55 Q9Y2T6 3/20 0.40
HTR2A P28223 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 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
SCHEMBL27520897 0.82 BCL2 (0.52) BCL2BCL2L1LDHALDHBCYP3A4
SCHEMBL8092285 0.82 BCL2 (0.54) BCL2BCL2L1LDHALDHBCALM1
SCHEMBL26135708 0.82 MAOA (0.39) HPGDALOX15HSD17B10
SCHEMBL7904072 0.82 BCL2 (0.45) BCL2BCL2L1LDHALDHBCALM1
SCHEMBL7990271 0.81 CALM1 (0.46) BCL2BCL2L1LDHALDHBCALM1
SCHEMBL8098213 0.80 CALM1 (0.55) BCL2BCL2L1CALM1ALOX5CNR2
SCHEMBL13324501 0.79 ALDH1A1 (0.44) ALOX15HIF1AHSD17B10
SCHEMBL11207724 0.79 PTGS1 (0.42) BCL2BCL2L1LDHALDHBCALM1
SCHEMBL9063881 0.78 CALM1 (0.55) BCL2BCL2L1LDHALDHBCALM1
SCHEMBL11748855 0.78 BCL2 (0.50) BCL2BCL2L1LDHALDHBCALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253529-B1 FLUORINATED POLYCYCLIC COMPOUNDS ISC CHEMICALS LIMITED (GB) 1990-09-26 EP disclosed
US-4895990-A HIGH TEMPERATURE VAPOR SOLDERING FLUID, HEAT TRANSFER I.S.C. CHEMICALS LIMITED (GB) 1990-01-23 US disclosed
EP-0253529-A1 Fluorinated polycyclic compounds ISC CHEMICALS LIMITED (GB) 1988-01-20 EP disclosed