SCHEMBL9310909

SCHEMBL9310909

CC(C)(C)c1cccc(C(=O)O)c1-c1oc(Br)c2cc(CBr)ccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
NFKB1 P19838 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL9310915 0.86 AGTR1 (0.33) NPC1RAB9ASMN1; SMN2NR1H4NFKB1
SCHEMBL9308306 0.85 POLB (0.39) NPC1RAB9ASMN1; SMN2TAS2R14NFKB1
SCHEMBL9309273 0.77 AGTR1 (0.34)
SCHEMBL9308311 0.71 KDM4E (0.44) NPC1RAB9ASMN1; SMN2NFKB1MEN1
SCHEMBL8544448 0.70 KMT2A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL901518 0.70 NR1H4 (0.41) SMN1; SMN2NR1H4RXRARXRBRXRG
SCHEMBL8550098 0.69 MEN1 (0.39) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7314778 0.67 TSHR (0.46) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL21810462 0.67 TAS2R14 (0.46) SMN1; SMN2TAS2R14ALDH1A1KMT2AFABP4
SCHEMBL1069725 0.66 FOLH1 (0.51) RXRARXRBRXRGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed