SCHEMBL11077889

SCHEMBL11077889

CN(CCCc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
HTR2A P28223 1/20 0.52
MCHR1 Q99705 1/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
RARB P10826 6/20 0.49
BCL2L1 Q07817 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CTRC Q99895 1/20 0.47
NR4A2 P43354 1/20 0.47
RARA P10276 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
PPARG P37231 1/20 0.46
SRD5A2 P31213 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL11078927 0.85 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRRARBMEN1
SCHEMBL10373059 0.83 RXRA (0.58) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL11074121 0.83 CNR2 (0.51) ALDH1A1ALOX15TSHRRARBMEN1
SCHEMBL9339110 0.82 NR4A2 (0.54) ALDH1A1ALOX15TSHRRARBNR4A2
SCHEMBL1346949 0.79 RARB (0.59) ALDH1A1RARBMEN1KMT2ARARA
SCHEMBL5751057 0.79 TSHR (0.74) ALDH1A1ALOX15TSHRRARBMEN1
SCHEMBL27747274 0.78 PPARG (0.50) ALDH1A1RARBMEN1KMT2APOLB
SCHEMBL14207379 0.78 MEN1 (0.46) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL9458908 0.78 MAPT (0.54) ALDH1A1TSHRRARBMEN1KMT2A
SCHEMBL29114273 0.76 PTGES (0.51) ALDH1A1TSHRRARBMEN1KMT2A

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-4489094-A Arylalkylaminobenzoic acids AMERICAN CYANAMID COMPANY (US) 1984-12-18 US disclosed