SCHEMBL22931017

SCHEMBL22931017

CC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
TSHR P16473 3/20 0.48
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
AR P10275 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR6 P50406 1/20 0.46
ESRRG P62508 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8889645 0.92 TSHR (0.55) PDE2ATSHRHPGDLMNATYR
SCHEMBL17923896 0.86 TSHR (0.61) TSHRESR1ESR2HPGDCYP3A4
SCHEMBL24390273 0.84 KIF11 (0.56) PDE2ATSHRHPGDLMNATYR
SCHEMBL1706121 0.83 PDE2A (0.62) PDE2ATSHRESR1ESR2HPGD
SCHEMBL11553859 0.80 PDE2A (0.54) PDE2ATSHRESR1ESR2HPGD
SCHEMBL424728 0.76 TSHR (0.73) TSHRHPGDLMNATYRHSD17B10
SCHEMBL18531361 0.76 ESR1 (0.65) TSHRESR1ESR2HPGDCYP3A4
SCHEMBL24522303 0.76 TSHR (0.83) TSHRESR1ESR2HPGDCYP3A4
SCHEMBL17164814 0.75 PDE2A (0.54) PDE2ANPC1RAB9AKDM4EKIF11
SCHEMBL22931120 0.74 TSHR (0.48) TSHRESR1ESR2HPGDCYP3A4

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
EP-3771723-A1 ADDITIVE MANUFACTURING ARTICLE AND METHOD SHPP Global Technologies B.V. (NL) 2021-02-03 EP disclosed