SCHEMBL28164115

SCHEMBL28164115

NC(=O)c1ccc(CC2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
CYP2C9 P11712 2/20 0.57
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
PARP10 Q53GL7 2/20 0.44
PARP15 Q460N3 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP14 Q460N5 1/20 0.44
DGAT1 O75907 1/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
PARP1 P09874 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL28160650 0.86 GAA (0.63) GAACYP2C9PLA2G10PLA2G2APARP10
SCHEMBL28164081 0.85 OPRM1 (0.59) GAACYP2C9KDM1AMAOAPARP10
SCHEMBL27533679 0.81 GBA1 (0.57) IDO1
SCHEMBL28852917 0.80 GAA (0.57) GAACYP2C9PLA2G10PLA2G2AKDM1A
SCHEMBL28325439 0.79 GAA (0.60) GAACYP2C9PLA2G10PLA2G2APARP10
SCHEMBL27842157 0.77 DGAT1 (0.66) CYP2C9PARP10PARP15PARP2DGAT1
SCHEMBL2762400 0.77 CYP2C9 (0.69) CYP2C9PARP10PARP15PARP2PARP14
SCHEMBL28164104 0.77 CA1 (0.54) KDM1AMAOAL3MBTL1CA12CA1
SCHEMBL6153849 0.76 GAA (1.00) GAAMAPTL3MBTL1MEN1KMT2A
SCHEMBL4771404 0.75 GBA1 (0.56) GAACYP2C9PLA2G10PLA2G2APARP10

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
CN-106999450-A immunomodulator 弗莱塞斯生物科学公司 2017-08-01 CN disclosed