SCHEMBL8995830

SCHEMBL8995830

Cc1cccc(CC(C)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.46
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NOS3 P29474 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
POLB P06746 1/20 0.38
P2RX7 Q99572 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PDE8B O95263 1/20 0.38
METAP2 P50579 1/20 0.37
KDM1A O60341 1/20 0.36

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
SCHEMBL23343777 1.00 NOS2 (0.46) NOS2KDM4EUSP2HPGDHSD17B10
SCHEMBL2614966 0.83 KDM4E (0.46) NOS2KDM4EUSP2HPGDHSD17B10
SCHEMBL1838370 0.80 NOS2 (0.42) NOS2CCR1
SCHEMBL30819694 0.80 NOS2 (0.42) NOS2CCR1
SCHEMBL28648289 0.80 NOS2 (0.42) NOS2CCR1
SCHEMBL20897039 0.80 TAAR1 (0.47) NOS2CCR1CCR8NOS3PDE8B
SCHEMBL13040616 0.78 NOS2 (0.58) NOS2NOS3
SCHEMBL1833445 0.78 NOS2 (0.41) NOS2KDM4EUSP2HPGDHSD17B10
SCHEMBL1845293 0.78 NOS2 (0.44) NOS2MAOA
SCHEMBL1249740 0.78 NOS2 (0.41) NOS2KDM4EUSP2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5518860-A IMPROVED ADHESION TO SILICON OXIDE AND NITRIDE SUBSTRATES TOKYO OHKA KOGYO CO., LTD. (JP) 1996-05-21 US claimed
US-4457934-A ESTER DERIVATIVE OF PYRIDINE STAUFFER CHEMICAL COMPANY (US) 1984-07-03 US disclosed