SCHEMBL11044116

SCHEMBL11044116

CCCC1CCC(C2CCC(OC(=O)c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL11044114 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1MAPTHTTSIGMAR1
SCHEMBL10799859 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1MAPTHTTSIGMAR1
SCHEMBL8982385 0.95 CYP2C9 (0.42) CYP2C9ALDH1A1MAPTHTTSIGMAR1
SCHEMBL11406713 0.93 ALDH1A1 (0.43) ALDH1A1MAPTHTTSIGMAR1KMT2A
SCHEMBL11038892 0.92 ALDH1A1 (0.42) ALDH1A1MAPTHTTSIGMAR1KMT2A
SCHEMBL11038890 0.92 ALDH1A1 (0.42) ALDH1A1MAPTHTTSIGMAR1KMT2A
SCHEMBL11404124 0.91 ALDH1A1 (0.42) ALDH1A1MAPTHTTSIGMAR1KMT2A
SCHEMBL11418274 0.91 ALDH1A1 (0.42) ALDH1A1MAPTHTTSIGMAR1KMT2A
SCHEMBL11040542 0.91 ALDH1A1 (0.42) ALDH1A1MAPTHTTSIGMAR1KMT2A
SCHEMBL11040539 0.91 ALDH1A1 (0.42) ALDH1A1MAPTHTTSIGMAR1KMT2A

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-4487954-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1984-12-11 US disclosed
US-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 US disclosed