SCHEMBL6452092

SCHEMBL6452092

Cc1ccc(OC(=O)c2ccc(C3CCC4CC(C)CCC4C3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 9/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRD5A1 P18405 1/20 0.35

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
SCHEMBL6452087 1.00 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6457292 0.93 TTR (0.38) KMT2AMEN1RAB9AMAPTTDP1
SCHEMBL6457287 0.93 TTR (0.38) KMT2AMEN1RAB9AMAPTTDP1
SCHEMBL6455921 0.92 TDP1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6455915 0.92 TDP1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6464036 0.91 TRPV1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL6464039 0.91 TRPV1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL6458133 0.90 MAPT (0.34) ALDH1A1KMT2ANPC1RAB9AGAA
SCHEMBL6453530 0.90 EPHX2 (0.36) NPC1RAB9AMAPT
SCHEMBL6453527 0.90 EPHX2 (0.36) NPC1RAB9AMAPT

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-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed