SCHEMBL8026977

SCHEMBL8026977

COc1c(OC)c(C(C)C)c2cc(C)c(Cc3ccc(C(F)(F)F)cc3)cc2c1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 9/20 0.74
▸ LDHB P07195 8/20 0.74
▸ ALB P02768 1/20 0.37
▸ SRD5A2 P31213 1/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ AKR1B1 P15121 2/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGER2 P43116 1/20 0.35

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
SCHEMBL7180807 0.88 LDHA (0.71) LDHALDHBALBAKR1B1
SCHEMBL8026984 0.85 LDHA (1.00) LDHALDHBALBSRD5A2PTGER4
SCHEMBL7176551 0.83 LDHA (0.56) LDHALDHBSRD5A2PPARDPPARA
SCHEMBL7186216 0.78 LDHA (0.62) LDHALDHBALBAKR1B1
SCHEMBL7192394 0.77 LDHA (0.51) LDHALDHBPPARDPPARAFFAR1
SCHEMBL7174190 0.75 LDHA (0.67) LDHALDHB
SCHEMBL2622272 0.74 ALB (0.65) LDHALDHBALBAKR1B1
SCHEMBL7179527 0.73 LDHA (0.86) LDHALDHBALB
SCHEMBL7183463 0.72 LDHA (1.00) LDHALDHBALB
SCHEMBL7185727 0.71 LDHA (0.78) LDHALDHBSRD5A2PPARA

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
US-6124498-A Hydroxynaphthoic acids and derivatives UNIVERSITY OF NEW MEXICO (US) 2000-09-26 — — US disclosed
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