SCHEMBL9364210

SCHEMBL9364210

c1ccc(Oc2ccc(OCn3cccn3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.50
PLA2G2A P14555 1/20 0.43
NPC1 O15118 2/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.41
TBXAS1 P24557 1/20 0.41
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1B Q00975 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 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
SCHEMBL15210209 0.93 TSHR (0.46) LTA4HNPC1GLARAB9ASMN1; SMN2
SCHEMBL9021032 0.83 LTA4H (0.56) LTA4HPLA2G2ANPC1RAB9ASMN1; SMN2
SCHEMBL5755407 0.78 THRB (0.38) SMN1; SMN2TSHRTBXAS1THRBALDH1A1
SCHEMBL22315192 0.75 TBXAS1 (0.62) LTA4HTBXAS1ALDH1A1CACNA1BKMT2A
SCHEMBL1729305 0.73 MCHR1 (0.45) LTA4HNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL28093430 0.73 HTT (0.57) SMN1; SMN2TSHRALDH1A1MEN1LMNA
SCHEMBL9364537 0.73 LTA4H (0.47) LTA4HPLA2G2ANPC1GLARAB9A
SCHEMBL7008972 0.70 NOTUM (0.56) LTA4HNPC1GLARAB9ASMN1; SMN2
SCHEMBL3519967 0.70 MAPT (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1563130 0.69 TSHR (0.48) NPC1RAB9ASMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388665-B1 Substituted N-hydroxypyrazoles and N-hydroxy-triazoles and their use in combatting parasites BASF AG (DE) 1994-04-27 EP disclosed
US-5173501-A Nematocides, insecticides BASF AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-5120756-A Insecticides, nematocides; antifertility agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed