SCHEMBL9054098

SCHEMBL9054098

CCCCCC1CC=C(CCC=C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
FNTA P49354 2/20 0.42
PKM P14618 1/20 0.42
PGGT1B P53609 1/20 0.42
MCL1 Q07820 8/20 0.38
BCL2L1 Q07817 5/20 0.38
FNTB P49356 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR3 Q99500 1/20 0.36
BCL2 P10415 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALOX15 P16050 1/20 0.33

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
SCHEMBL21408664 0.83 CYP1A2 (0.35) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL21432069 0.83 CYP1A2 (0.35) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL21408653 0.82 TSHR (0.37) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL23151644 0.82 TSHR (0.37) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL7736938 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL21609554 0.80 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL28487258 0.80 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL1716694 0.80 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL7729673 0.80 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL21408683 0.79 TLR4 (0.35) ALDH1A1MEN1KMT2AMAPTTLR4

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
EP-0743297-A1 Novel perfume GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-11-20 EP disclosed