SCHEMBL9049415

SCHEMBL9049415

CC=CC[C@](C)(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
ACLY P53396 1/20 0.32
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9049411 1.00 TSHR (0.41) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL18735291 0.83 MEN1 (0.31) CYP2C19CYP1A2MEN1KMT2ACYP3A4
SCHEMBL14557635 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP3A4RECQL
SCHEMBL5956564 0.79 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL2847075 0.77 MEN1 (0.33) ALDH1A1CYP1A2MEN1THRBKMT2A
SCHEMBL2847072 0.77 MEN1 (0.33) ALDH1A1CYP1A2MEN1THRBKMT2A
SCHEMBL1717016 0.77 TSHR (0.41) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL184957 0.77
SCHEMBL132112 0.76 ACLY (0.43) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL20533115 0.76 ACLY (0.43) TSHRCYP2D6CYP2C19HIF1AALDH1A1

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-0745072-A1 4-AMINO DERIVATIVES OF 5-SUBSTITUTED MYCOPHENOLIC ACID SYNTEX (U.S.A.) INC. (US) 1996-12-04 EP disclosed