SCHEMBL8460263

SCHEMBL8460263

COc1c(OC)c(C(C)C)c2cc(C)ccc2c1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 9/20 0.65
LDHB P07195 8/20 0.65
ALB P02768 4/20 0.65
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7186216 0.84 LDHA (0.62) LDHALDHBALBMEN1KMT2A
SCHEMBL7176330 0.82 LDHA (0.59) LDHALDHBALBMEN1KMT2A
SCHEMBL2622272 0.80 ALB (0.65) LDHALDHBALBMEN1KMT2A
SCHEMBL29750641 0.79 LDHA (1.00) LDHALDHBALB
SCHEMBL426471 0.79 LDHA (1.00) LDHALDHBALB
SCHEMBL8463269 0.75 ALB (0.61) LDHALDHBALBMEN1KMT2A
SCHEMBL7176296 0.75 LDHA (0.65) LDHALDHBALBMEN1KMT2A
SCHEMBL7180807 0.75 LDHA (0.71) LDHALDHBALBMEN1KMT2A
SCHEMBL27941459 0.69 LDHA (0.61) LDHALDHBALBKDM4EALDH1A1
SCHEMBL7779298 0.68 LDHA (0.53) LDHALDHBALBMEN1KMT2A

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
US-5936120-A FOR TREATING HUMAN IMMMUNODEFICIENCY VIRUS INFECTION IN MAMMALS UNIVERSITY OF NEW MEXICO (US) 1999-08-10 US disclosed
US-5780675-A NONCYTOTOXIC; SAPONIFICATION, CYCLIZATION, REDUCTION, REHYDRATION; CATALYTIC HYDROGENOLYSIS THE UNIVERSITY OF NEW MEXICO (US) 1998-07-14 US disclosed