SCHEMBL8842697

SCHEMBL8842697

COc1ccc(SCCCCC(C(=O)O)C(C(=O)O)P(=O)(O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RYR2 Q92736 2/20 0.40
LDHA P00338 1/20 0.40
ACP3 P15309 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRM4 Q14833 1/20 0.38
PLA2G2A P14555 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL10484141 0.81 MTNR1A (0.47) ALDH1A1LMNAMTNR1AMTNR1BNPC1
SCHEMBL8842789 0.80 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2LDHAACP3
SCHEMBL8842659 0.77 LDHA (0.59) NPC1RAB9ASMN1; SMN2LDHAACP3
SCHEMBL6384152 0.76 MTNR1A (0.54) ALDH1A1LMNAMTNR1AMTNR1BNPC1
SCHEMBL9226277 0.74 MTNR1A (0.51) ALDH1A1LMNAMTNR1AMTNR1BNPC1
SCHEMBL8842649 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9222439 0.73 MTNR1A (0.50) ALDH1A1LMNAMTNR1AMTNR1BNPC1
SCHEMBL5167250 0.72 ALDH1A1 (0.56) ALDH1A1LMNAMTNR1AMTNR1BNPC1
SCHEMBL4406395 0.72 ALDH1A1 (0.58) ALDH1A1LMNAMTNR1AMTNR1BNPC1
SCHEMBL21102388 0.72 MTNR1A (0.48) ALDH1A1LMNAMTNR1AMTNR1BNPC1

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-5683994-A BONE DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1997-11-04 US claimed