SCHEMBL7412930

SCHEMBL7412930

CC(C)c1ccc(C(=O)OC2CCC(=O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTPRF P10586 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 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
SCHEMBL16132829 0.86 POLB (0.57) POLBSCN1ASCN2ASCN3AMEN1
SCHEMBL14207663 0.83 SCN2A (0.61) POLBSCN1ASCN2ASCN3AMEN1
SCHEMBL7412257 0.83 SCN1A (0.65) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7413532 0.81 PTPN2 (0.63) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL19226482 0.81 SCN1A (0.71) POLBSCN1ASCN2ASCN3AMEN1
SCHEMBL7411400 0.80 CA1 (0.51) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7407145 0.80 PTPN2 (0.61) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL16691835 0.79 POLB (0.51) POLBSCN1ASCN2ASCN3AMEN1
SCHEMBL1556598 0.79 MEN1 (0.59) POLBSCN1ASCN2ASCN3AMEN1
SCHEMBL27134171 0.76 POLB (0.57) POLBSCN1ASCN2ASCN3AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed