SCHEMBL9013474

SCHEMBL9013474

NC(=O)C1=C(C(=O)NC2CCCCC2)C2CCC1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.45
TAS1R1 Q7RTX1 5/20 0.45
TAS1R2 Q8TE23 5/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP2 P08253 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42

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
SCHEMBL9246100 0.77 CYP2C9 (0.32) MAPTKDM4E
SCHEMBL9812825 0.70 NPC1 (0.54) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL2229042 0.70 KMT2A (0.59) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL2487814 0.70 NPC1 (0.70) NPC1RAB9AMAOAMAOBSMN1; SMN2
SCHEMBL18223630 0.69 AKR1C3 (0.31)
SCHEMBL18262000 0.68 EPHX1 (0.64) NPC1RAB9AEPHX1SMN1; SMN2MAPT
SCHEMBL78650 0.68 EPHX1 (0.64) NPC1RAB9AEPHX1SMN1; SMN2MAPT
SCHEMBL1756853 0.68 EPHX1 (0.64) NPC1RAB9AEPHX1SMN1; SMN2MAPT
SCHEMBL1757034 0.68 EPHX1 (0.64) NPC1RAB9AEPHX1SMN1; SMN2MAPT
SCHEMBL27496580 0.68 NPC1 (0.67) NPC1RAB9AMAOAMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577002-B1 Poly(methacryl imides) with elevated heat distortion resistance BASF AG (DE) 1996-12-04 EP disclosed
US-5354814-A Molding materials; heat resistance BASF AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
EP-0577002-A1 Poly(methacryl imides) with elevated heat distortion resistance BASF Aktiengesellschaft (DE) 1994-01-05 EP disclosed