SCHEMBL14462007

SCHEMBL14462007

CCC(Oc1ccc2cc(C(C)CC)ccc2c1)OC1CC2CC1C1CCCC21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1C3 P42330 5/20 0.32
AKR1C2 P52895 5/20 0.32
AKR1C1 Q04828 1/20 0.32
PTGS1 P23219 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
SCN9A Q15858 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL15368828 0.92 ABCB11 (0.34) ABCB11NPC1RAB9ANPSR1L3MBTL1
SCHEMBL14280471 0.90 ABCB11 (0.34) ABCB11NPC1RAB9ANPSR1L3MBTL1
SCHEMBL14462000 0.90 ALDH1A1 (0.36) NPC1RAB9ANPSR1L3MBTL1ALDH1A1
SCHEMBL14462006 0.83 NPC1 (0.32) NPC1RAB9ANPSR1L3MBTL1
SCHEMBL16683056 0.83 ALDH1A1 (0.34) NPC1RAB9ANPSR1L3MBTL1ALDH1A1
SCHEMBL15503574 0.82 NPC1 (0.33) NPC1RAB9ANPSR1L3MBTL1
SCHEMBL14462009 0.82 ALDH1A1 (0.36) NPC1RAB9ANPSR1L3MBTL1ALDH1A1
SCHEMBL16081320 0.82 ALDH1A1 (0.34) NPC1RAB9ANPSR1L3MBTL1ALDH1A1
SCHEMBL18473442 0.81 SLC7A5 (0.35) NPC1RAB9ANPSR1L3MBTL1ALDH1A1
SCHEMBL15503639 0.81 NPC1 (0.36) NPC1RAB9ANPSR1L3MBTL1ALDH1A1

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-8574814-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and actinic ray-sensitive or radiation-sensitive film and pattern forming method using the composition FUJIFILM CORPORATION (JP) 2013-11-05 US disclosed
US-20130004888-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed