SCHEMBL9397889

SCHEMBL9397889

CCC(CCl)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRNA7 P36544 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8609874 0.88 CHRNA7 (0.42) ALDH1A1LMNASMN1; SMN2CHRNA7ACHE
SCHEMBL3989199 0.85 ADRA2A (0.48) ALDH1A1LMNASMN1; SMN2ESR1ESR2
SCHEMBL28156960 0.80 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2CHRNA7ACHE
SCHEMBL28156959 0.80 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2CHRNA7ACHE
SCHEMBL2237751 0.79 LMNA (0.48) LMNAESR1ESR2TDP1CYP2D6
SCHEMBL16979038 0.77 ESR1 (0.44) ALDH1A1LMNASMN1; SMN2ESR1ESR2
SCHEMBL19803213 0.77 ADRA2A (0.42) ALDH1A1LMNASMN1; SMN2ESR1ESR2
SCHEMBL18714383 0.77 ESR1 (0.46) ALDH1A1LMNASMN1; SMN2ESR1ESR2
SCHEMBL11205216 0.77 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2ESR1ESR2
SCHEMBL9359053 0.76 ESR1 (0.38) ALDH1A1LMNASMN1; SMN2ESR1ESR2

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-5292720-A Formate ester indane compounds UNION CAMP CORPORATION (US) 1994-03-08 US disclosed