SCHEMBL31549865

SCHEMBL31549865

CC1(C)C=CC(c2ccc(-c3ccccc3)cc2)=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM1A O60341 4/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
GLI1 P08151 1/20 0.33
GLI2 P10070 1/20 0.33
CYP1A2 P05177 2/20 0.31
MAPK1 P28482 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP3 P08254 1/20 0.31
BCL2L1 Q07817 1/20 0.31
CXCR3 P49682 1/20 0.31
CYP1A1 P04798 1/20 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
SCHEMBL7511841 0.96 KDM1A (0.35) KDM1AMAOAMAOBALDH1A1CYP3A4
Lithium SCHEMBL31073483 0.94 KDM1A (0.34) KDM1AMAOAMAOBCYP3A4GLI1
Thiophene SCHEMBL28263823 0.86 KDM1A (0.30) KDM1AMAOAMAOB
Biphenyl SCHEMBL28296182 0.81 TAAR1 (0.38) NPC1RAB9AKDM1AMAOBALDH1A1
SCHEMBL7999615 0.81 TAAR1 (0.38) NPC1RAB9AKDM1AMAOBALDH1A1
SCHEMBL2662025 0.79 CYP3A4 (0.33) CYP3A4GLI1GLI2
SCHEMBL28315566 0.79 KDM1A (0.34) KDM1AMAOAMAOB
Benzaldehyde SCHEMBL29152641 0.79 ALDH1A1 (0.38) NPC1ALDH1A1MMP3BCL2L1
SCHEMBL1120013 0.79 TAAR1 (0.34) NPC1RAB9AKDM1AMAOBALDH1A1
Benzene SCHEMBL28178850 0.79 TAAR1 (0.34) NPC1RAB9AKDM1AMAOBALDH1A1

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
CN-119684071-A Para-terphenyl derivative and synthesis method thereof 湖南大学 2025-03-25 CN disclosed