SCHEMBL11464397

SCHEMBL11464397

COc1ccc(Cc2ccc(C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NR4A2 P43354 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SRD5A2 P31213 1/20 0.48
▸ PLA2G4B P0C869 1/20 0.47
▸ TAS2R14 Q9NYV8 1/20 0.46
▸ PTPN5 P54829 1/20 0.46

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
SCHEMBL3840431 0.85 LTA4H (0.50) SMN1; SMN2ALDH1A1
SCHEMBL28301168 0.82 LTA4H (0.56) ALDH1A1
SCHEMBL11464459 0.80 CA1 (0.77) CA1CA2NPC1POLBRAB9A
SCHEMBL11457464 0.78 LDHA (0.48) —
SCHEMBL11822910 0.77 CA1 (0.53) CA1CA2NPC1POLBRAB9A
SCHEMBL11843492 0.76 SLC6A4 (0.47) SMN1; SMN2ALDH1A1
SCHEMBL473881 0.75 HSD17B10 (0.63) POLBKDM4EALDH1A1
SCHEMBL28598360 0.75 RXRA (0.62) CA1CA2NPC1POLBRAB9A
SCHEMBL29788004 0.75 SRD5A2 (0.59) CA1CA2SMN1; SMN2NR4A2KDM4E
SCHEMBL2037708 0.75 SRD5A2 (0.59) CA1CA2SMN1; SMN2NR4A2KDM4E

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-4208425-A VIRICIDES STERLING DRUG INC. (US) 1980-06-17 — — US disclosed
US-4153719-A Aromatic diketones STERLING DRUG INC. (US) 1979-05-08 — — US disclosed
Send feedback