SCHEMBL9181752

SCHEMBL9181752

CCC(C)(C)c1cc(C)ccc1C(=O)c1ccc(C)cc1C(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL13898677 0.77 CSNK2A1 (0.50) MEN1KMT2AALDH1A1CSNK2A1CYP2C9
SCHEMBL30135130 0.76 TRPA1 (0.46) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28471721 0.76 CES2 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7597386 0.76 TRPA1 (0.46) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20599448 0.74 RAPGEF4 (0.37) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9328361 0.73 SMN1; SMN2 (0.33) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4399345 0.72 TRPA1 (0.46) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30893091 0.72 TRPA1 (0.46) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18768788 0.72 SMN1; SMN2 (0.34) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8050752 0.71 POLB (0.46) HPGDNPC1RAB9ASMN1; SMN2MEN1

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-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US disclosed