SCHEMBL4094425

SCHEMBL4094425

COc1c(C)cccc1C[C]=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.37
TSHR P16473 3/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 4/20 0.34
SCN4A P35499 3/20 0.34
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
KCNK3 O14649 1/20 0.34
CACNA1F O60840 1/20 0.34
KCNK2 O95069 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL7038288 0.81 CA12 (0.49) TSHRLMNACYP1A2CYP3A4CYP2D6
SCHEMBL13344106 0.80 GABRA1 (0.43) SCN8ATSHRCNR1CNR2GPR55
SCHEMBL11195030 0.80 ALDH1A1 (0.41) TSHRTAAR1LMNASMN1; SMN2MAPT
SCHEMBL9112957 0.79 SCN8A (0.40) SCN8ATSHRCNR1CNR2GPR55
SCHEMBL6317062 0.76 ESR1 (0.41) TSHRTAAR1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL811980 0.76 TAAR1 (0.52) TSHRTAAR1LMNASMN1; SMN2MAPT
SCHEMBL13570163 0.76 TAAR1 (0.59) TAAR1SCN4ACYP1A2HTR2AHTR2B
SCHEMBL24378512 0.75 SCN8A (0.40) SCN8ATSHRCNR1CNR2GPR55
SCHEMBL4513903 0.75 SCN4A (0.41) SCN8ATSHRLMNASCN4ASCN1A
SCHEMBL4895058 0.75 SCN4A (0.43) SCN8ATSHRTAAR1LMNASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US claimed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO claimed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
WO-2007134127-A3 AGENTS FOR IMAGING APOPTOSIS UNIV TEXAS (US) 2008-01-17 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed