SCHEMBL8967452

SCHEMBL8967452

C[C@@H](CO)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
RECQL P46063 1/20 0.46
ACACB O00763 3/20 0.45
LMNA P02545 2/20 0.41
EPHX1 P07099 1/20 0.41
TYR P14679 1/20 0.41
REN P00797 1/20 0.41
COPS5 Q92905 1/20 0.40
TRPA1 O75762 2/20 0.40
EPHX2 P34913 1/20 0.40
GRIA4 P48058 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
SCHEMBL8323180 1.00 TSHR (0.55) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL444104 1.00 TSHR (0.55) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL6989159 0.91 TP53 (0.50) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL17706564 0.86 TP53 (0.46) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL11459690 0.83 ADORA3 (0.52) TSHRTP53EBPSIGMAR1ACACB
SCHEMBL10454154 0.82 TP53 (0.38) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL6381994 0.82 TSHR (0.52) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL29160521 0.81 TP53 (0.68) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL6044363 0.81 TP53 (0.51) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL6044360 0.81 TP53 (0.51) TSHRTP53EBPSIGMAR1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103304388-A Asymmetric synthesis method of (R)- or (S)-Lily aldehyde FOURTH MILITARY MEDICAL UNIV 2013-09-18 CN claimed
CN-103304388-A Asymmetric synthesis method of (R)- or (S)-Lily aldehyde FOURTH MILITARY MEDICAL UNIV 2013-09-18 CN disclosed
EP-0530336-B1 CHIRAL PHOSPHINES HOFFMANN LA ROCHE (CH) 1996-03-06 EP disclosed
US-5274125-A Chirale phosphines HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0530336-A1 CHIRAL PHOSPHINES. HOFFMANN LA ROCHE (CH) 1993-03-10 EP disclosed
WO-1992016536-A1 CHIRAL PHOSPHINES F. HOFFMANN-LA ROCHE AG (CH) 1992-10-01 WO disclosed