SCHEMBL9650472

SCHEMBL9650472

CCCc1ccc(-c2ncc(C(=O)O)c(CC)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.49
MCL1 Q07820 1/20 0.48
RARB P10826 7/20 0.45
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL4636265 0.83 ALDH1A1 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL6737103 0.82 ALDH1A1 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL9650494 0.82 NPC1 (0.75) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL9649535 0.80 LMNA (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL9650514 0.79 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL10339235 0.78 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11613426 0.77 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL9649521 0.76 PPARG (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL9650498 0.76 BRS3 (0.52) SMN1; SMN2ALDH1A1BRS3MAPTLMNA
SCHEMBL9238965 0.74 RARB (0.72) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E

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-5112523-A High clearing point for liquid crystal displays CHISSO CORPORATION (JP) 1992-05-12 US disclosed
US-4874546-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1989-10-17 US disclosed