SCHEMBL8638819

SCHEMBL8638819

c1ccc(Oc2ccc(OCCCn3ccnc3)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.77
TBXAS1 P24557 2/20 0.75
QPCT Q16769 1/20 0.69
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ATM Q13315 1/20 0.68
NOS1 P29475 2/20 0.64
LTA4H P09960 1/20 0.64
POLB P06746 1/20 0.64
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63

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
SCHEMBL9260489 0.94 TBXAS1 (0.71) CACNA1BTBXAS1NOS1KDM4ELMNA
SCHEMBL12045305 0.94 TBXAS1 (0.84) CACNA1BTBXAS1QPCTMEN1KMT2A
Hydrochloric Acid SCHEMBL9996074 0.92 TBXAS1 (0.82) CACNA1BTBXAS1QPCTMEN1KMT2A
SCHEMBL12045307 0.89 TBXAS1 (0.82) TBXAS1MEN1KMT2ANOS1KDM4E
Hydrochloric Acid SCHEMBL9996079 0.88 TBXAS1 (0.79) TBXAS1MEN1KMT2AATMNOS1
SCHEMBL10476929 0.88 TBXAS1 (0.79) TBXAS1MEN1KMT2ANOS1KDM4E
Hydrochloric Acid SCHEMBL2529362 0.88 MEN1 (0.85) TBXAS1QPCTMEN1KMT2AATM
Hydrochloric Acid SCHEMBL9483473 0.87 KMT2A (0.70) TBXAS1QPCTMEN1KMT2AATM
SCHEMBL10370478 0.86 TBXAS1 (1.00) TBXAS1MEN1KMT2ANOS1LTA4H
Hydrochloric Acid SCHEMBL9996050 0.84 TBXAS1 (0.97) TBXAS1MEN1KMT2ANOS1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
US-5280036-A Containing 4h-1,24-triazole ring BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
US-5214064-A Insecticides, nematocides, miticides BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
EP-0289919-B1 N-SUBSTITUTED AZOLES BASF Aktiengesellschaft (DE) 1993-03-17 EP disclosed
US-5187182-A Insecticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5185359-A N-phenoxphenyloxymethyl substituted azoles and method for controlling pests therewith BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
US-5116860-A N-SUBSTITUTED AZOLES FOR COMBATING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
US-4943585-A N-substituted azoles and insecticide, arachnicide, and nematocide compositions thereof BASF AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed
EP-0289919-A2 N-Substituted azoles BASF Aktiengesellschaft (DE) 1988-11-09 EP disclosed