SCHEMBL8615353

SCHEMBL8615353

CCCCC1=C([Hf])CC(c2ccccc2)=C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
ADORA1 P30542 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
DNM1 Q05193 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
TSHR P16473 1/20 0.33
NR1H3 Q13133 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
PSMB5 P28074 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
HTT P42858 2/20 0.31

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
Hydrochloric Acid SCHEMBL8619856 0.89 NPC1 (0.32) SMN1; SMN2
Hydrochloric Acid SCHEMBL27493464 0.78 HSD11B1 (0.34) HSD11B1DNM1GPR84TSHRMEN1
Hydrochloric Acid SCHEMBL8357816 0.75 HSD11B1 (0.32) HSD11B1
Hydrochloric Acid SCHEMBL8355699 0.75 HSD11B1 (0.32) HSD11B1
SCHEMBL8614512 0.71 TSHR (0.36) HSD11B1ADORA1ADORA3GPR84TSHR
SCHEMBL8619099 0.70
SCHEMBL8613166 0.70
Hydrochloric Acid SCHEMBL8613341 0.68 NPC1 (0.36)
SCHEMBL8619470 0.67
Biphenyl SCHEMBL27954388 0.67 LIPG (0.48) HSD11B1ADORA3GPR84TSHRNR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837865-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
WO-1997003080-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed