SCHEMBL8478252

SCHEMBL8478252

[CH2]C(OCCC)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
DNM1 Q05193 1/20 0.37
TSHR P16473 3/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL1527700 0.95 ADRB2 (0.41) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL27475653 0.92 DNM1 (0.45) DNM1TSHRALDH1A1USP2
SCHEMBL28873662 0.92 ADRB2 (0.39) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL27471804 0.90 DNM1 (0.48) DNM1TSHRUSP2
SCHEMBL2333903 0.89 HSD17B10 (0.32)
SCHEMBL28105324 0.88 TSHR (0.50) DNM1TSHRHPGDALDH1A1LMNA
SCHEMBL1665116 0.87 ADRB2 (0.36) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL6179383 0.86 DNM1 (0.48) DNM1TSHRALDH1A1CA1CA2
SCHEMBL11312612 0.85 ADRB2 (0.35) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL6178129 0.84 DNM1 (0.52) DNM1TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1130351-C 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2003-12-10 CN disclosed
CN-1246850-A 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2000-03-08 CN disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
CN-1158122-A Substituted triazolinones as plant protective agents BASF AG (DE) 1997-08-27 CN disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed
WO-1994011344-A1 SUBSTITUTED 3,4,5,6-TETRAHYDROPHTHALIMIDES FOR USE AS HERBICIDES AND/OR DEFOLIANTS OR DESICCANTS BASF AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed