SCHEMBL8768170

SCHEMBL8768170

COc1ccc2c(c1)CC(C)(C(=O)O)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLA1 P09884 2/20 0.46
CXCR5 P32302 1/20 0.45
PRNP P04156 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KDM1A O60341 1/20 0.42
PPARA Q07869 1/20 0.41
NOTUM Q6P988 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL346235 0.87 SMN1; SMN2 (0.56) ADRA2ASMN1; SMN2POLA1CXCR5PRNP
SCHEMBL346945 0.85 ADRA2A (0.48) ADRA2ASMN1; SMN2POLA1CXCR5PRNP
SCHEMBL346119 0.82 RXRA (0.42) PPARA
SCHEMBL345843 0.80 ALDH1A1 (0.44) CA1CA2ACHE
SCHEMBL24439930 0.79 HDAC1 (0.42) CXCR5NPC1RAB9ANOTUM
SCHEMBL19469553 0.78 SMN1; SMN2 (0.56) ADRA2ASMN1; SMN2POLA1MTNR1AMTNR1B
SCHEMBL19469571 0.78 SMN1; SMN2 (0.56) ADRA2ASMN1; SMN2POLA1MTNR1AMTNR1B
SCHEMBL19520534 0.78 SMN1; SMN2 (0.56) ADRA2ASMN1; SMN2POLA1MTNR1AMTNR1B
SCHEMBL2055543 0.76 IDH1 (0.44) POLB
SCHEMBL29857016 0.76 IDH1 (0.44) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed
EP-0579833-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY. FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-26 EP disclosed
WO-1992018461-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO disclosed