SCHEMBL11838605

SCHEMBL11838605

O=C(O)C1(C(=O)O)CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NR2E1 Q9Y466 2/20 0.45
HTR5A P47898 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
FAAH O00519 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CHRNA7 P36544 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL1114261 0.83 LMNA (0.45) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL6526481 0.83 LMNA (0.45) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL11204300 0.82 HTR2A (0.47) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL4969326 0.78 MAPT (0.43) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL5880965 0.78 TACR1 (0.60) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL5880943 0.76 ACHE (0.44) LMNAMAPTBAZ2BTAAR1TRPV1
SCHEMBL31510880 0.75 HTR2A (0.51) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL31510878 0.75 HTR2A (0.51) LMNAMAPTBAZ2BHTR2AHTR2C
SCHEMBL31684725 0.73 HTR2A (0.46) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL5881032 0.73 TACR1 (0.51) LMNAMAPTBAZ2BKDM4EALDH1A1

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-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 US disclosed