SCHEMBL7619909

SCHEMBL7619909

CC(Cc1ccccc1)(OC(N)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 2/20 0.48
RECQL P46063 1/20 0.48
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 4/20 0.44
HIF1A Q16665 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
LMNA P02545 1/20 0.40
MRGPRX2 Q96LB1 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL1667978 0.90 NR3C2 (0.41) SLC6A2TAAR1CYP1A2CYP3A4RECQL
SCHEMBL29118559 0.83 KMT2A (0.48) TAAR1CYP1A2CYP3A4RECQLMAPK1
SCHEMBL27596019 0.83 MAPT (0.48) TAAR1CYP1A2CYP3A4RECQLMAPK1
SCHEMBL2283147 0.83 MAPT (0.48) TAAR1CYP1A2MAPTKMT2ACYP2C19
SCHEMBL16028069 0.81 MAPT (0.47) TAAR1CYP1A2CYP3A4RECQLMAPK1
SCHEMBL10518614 0.81 MAPT (0.47) TAAR1CYP1A2CYP3A4RECQLMAPK1
SCHEMBL3656311 0.81 SMN1; SMN2 (0.48) SLC6A2TAAR1CYP1A2CYP3A4RECQL
SCHEMBL9278784 0.81 HIF1A (0.48) SLC6A2TAAR1CYP1A2CYP3A4RECQL
SCHEMBL12390094 0.81 KCNH2 (0.44) SLC6A2TAAR1CYP1A2CYP3A4RECQL
SCHEMBL29118554 0.80 MAPT (0.46) TAAR1CYP1A2CYP3A4RECQLMAPT

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
US-6437012-B1 Low-swelling, macroporous polymer-supported reagents for organic synthesis and purification AGILENT TECHNOLOGIES, INC. 2002-08-20 US disclosed