SCHEMBL5929499

SCHEMBL5929499

CC(C)c1cccc(C(C)C)c1C#Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.50
▸ KCNH2 Q12809 1/20 0.44
▸ GRM5 P41594 3/20 0.42
▸ GABRA1 P14867 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ GABRA5 P31644 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
SCHEMBL15329461 0.82 APP (0.44) APPKCNH2GRM5GABRA1LMNA
SCHEMBL28282150 0.79 NPC1 (0.50) APPKCNH2GRM5GABRA1LMNA
SCHEMBL3796509 0.74 APP (0.80) APPKCNH2GRM5CYP1A2CYP3A4
SCHEMBL11036599 0.72 GABRA1 (0.52) GABRA1LMNACYP1A2CYP3A4HPGD
SCHEMBL19455956 0.71 APP (0.57) APPKCNH2GRM5LMNACYP1A2
Benzene SCHEMBL3121322 0.71 GABRA1 (0.60) GABRA1LMNACYP1A2CYP3A4HPGD
Benzene SCHEMBL28101242 0.71 GABRA1 (0.60) GABRA1LMNACYP1A2CYP3A4HPGD
Diphenylacetylene SCHEMBL960609 0.71 APP (1.00) APPKCNH2GRM5CYP1A2CYP3A4
Diphenylacetylene SCHEMBL68254 0.71 APP (1.00) APPKCNH2GRM5CYP1A2CYP3A4
Diphenylacetylene SCHEMBL29188592 0.71 APP (1.00) APPKCNH2GRM5CYP1A2CYP3A4

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
US-8263018-B2 Detecting aggregation-induced emission via fluorescence THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2012-09-11 — — US disclosed
US-20060240565-A1 Environment sensor and conjugated polyene for manufacturing environment sensors HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY, THE (HK) 2006-10-26 — — US disclosed
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