SCHEMBL29633457

SCHEMBL29633457

COc1ccc2c(c1)OCC(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
LMNA P02545 3/20 0.51
MTNR1A P48039 3/20 0.49
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
POLB P06746 1/20 0.47
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CYP19A1 P11511 1/20 0.45

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
SCHEMBL1519319 1.00 TP53 (0.51) TP53LMNAMTNR1AALOX15ALOX12
SCHEMBL24440178 1.00 TP53 (0.51) TP53LMNAMTNR1AALOX15ALOX12
SCHEMBL30292011 0.89 TP53 (0.63) TP53LMNAMTNR1APOLBMAPT
SCHEMBL22165412 0.89 TP53 (0.63) TP53LMNAMTNR1APOLBMAPT
SCHEMBL28379701 0.89 TP53 (0.63) TP53LMNAMTNR1APOLBMAPT
SCHEMBL1519082 0.89 TP53 (0.63) TP53LMNAMTNR1APOLBMAPT
SCHEMBL14013678 0.80 MAPT (0.50) TP53LMNAPOLBKDM4EMAPT
SCHEMBL9441724 0.79 ALOX15 (0.49) TP53LMNAMTNR1AALOX15ALOX12
SCHEMBL10225789 0.79 MTNR1A (0.51) MTNR1ACYP19A1
SCHEMBL22617202 0.78 MAOB (0.49) TP53LMNAPOLBCYP4F2CYP4A11

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
WO-2022103752-A1 RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING THE SCRIPPS RESEARCH INSTITUTE (US) 2022-05-19 WO disclosed