SCHEMBL8092439

SCHEMBL8092439

O=C(N[C@@H]1c2ccccc2C[C@H]1O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 1/20 0.49
MMP9 P14780 5/20 0.48
MMP1 P03956 4/20 0.48
MMP2 P08253 4/20 0.48
MMP8 P22894 4/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NAMPT P43490 1/20 0.46
P2RX7 Q99572 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46

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
SCHEMBL8090767 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ARAB9AMMP9
SCHEMBL8092194 0.84 MEN1 (0.58) ALDH1A1MEN1KMT2AMMP9MMP1
SCHEMBL8092052 0.84 MEN1 (0.58) ALDH1A1MEN1KMT2AMMP9MMP1
SCHEMBL192420 0.82 NAMPT (0.52) ALDH1A1MEN1KMT2AMMP9MMP1
SCHEMBL18141994 0.82 NAMPT (0.52) ALDH1A1MEN1KMT2AMMP9MMP1
SCHEMBL5802535 0.82 NAMPT (0.52) ALDH1A1MEN1KMT2AMMP9MMP1
SCHEMBL15364885 0.82 NAMPT (0.52) ALDH1A1MEN1KMT2AMMP9MMP1
SCHEMBL1665424 0.82 NAMPT (0.52) ALDH1A1MEN1KMT2AMMP9MMP1
SCHEMBL17923298 0.82 NAMPT (0.52) ALDH1A1MEN1KMT2AMMP9MMP1
SCHEMBL3328510 0.82 NAMPT (0.52) ALDH1A1MEN1KMT2AMMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824512-B1 SYNTHESIS OF OPTICALLY ACTIVE AMINOINDANOL BASF AG (DE) 2000-12-20 EP claimed
US-5872296-A Synthesis of optically active aminoindanol BASF AKTIENGESELLSCHAFT (DE) 1999-02-16 US claimed