SCHEMBL10389840

SCHEMBL10389840

CC(C)(C)C(O)C(Oc1ccc(Cl)cc1Cl)n1cncn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
HSP90AA1 P07900 1/20 0.70
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
CYP3A4 P08684 4/20 0.45
CYP19A1 P11511 3/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL10390343 0.90 POLB (0.57) POLBHSP90AA1MEN1KMT2ATDP1
SCHEMBL11347928 0.89 POLB (0.69) POLBHSP90AA1MEN1KMT2ATDP1
SCHEMBL10576955 0.89 POLB (0.56) POLBHSP90AA1MEN1KMT2ATDP1
SCHEMBL11356833 0.89 POLB (0.56) POLBHSP90AA1MEN1KMT2ATDP1
SCHEMBL11482530 0.89 POLB (0.56) POLBHSP90AA1MEN1KMT2ATDP1
SCHEMBL11156046 0.88 POLB (0.55) POLBHSP90AA1MEN1KMT2ATDP1
SCHEMBL11291401 0.88 POLB (0.55) POLBHSP90AA1MEN1KMT2ATDP1
SCHEMBL11177354 0.88 POLB (0.55) POLBHSP90AA1MEN1KMT2ATDP1
SCHEMBL10692161 0.87 POLB (0.52) POLBHSP90AA1MEN1KMT2ATDP1
SCHEMBL11854474 0.86 HSP90AA1 (0.64) POLBHSP90AA1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4917720-A Fungicidal and plant-growth regulating azolyl ether ketones and alcohols BAYER AKTIENGESELLSCHAFT (DE) 1990-04-17 US disclosed
EP-0224076-B1 AZOLYL ETHER KETONES AND ALCOHOLS BAYER AG (DE) 1989-11-08 EP disclosed
US-4878939-A CONTROLLING FUNGI BAYER AKTIENGESELLSCHAFT (DE) 1989-11-07 US disclosed
EP-0109476-A1 Phenoxypropyltriazolyl ketones and carbinols, process for their preparation and their use as fungicides, and intermediates for their production BAYER AG (DE) 1984-05-30 EP disclosed
EP-0006538-B1 SULFENYLATED CARBAMOYL-TRIAZOLYL-O,N-ACETALS, THEIR PREPARATION AND USE AS FUNGICIDES BAYER AG (DE) 1981-12-02 EP disclosed
US-4239766-A Combating fungi with 1-(4-phenoxy)-3,3-dimethyl-2-(N-halogenoalkylmercapto-carbamoyloxy)-1-(1,2,4-triazol-1-yl)-butanes BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 US disclosed
EP-0006538-A1 Sulfenylated carbamoyl-triazolyl-O,N-acetals, their preparation and use as fungicides BAYER AG (DE) 1980-01-09 EP disclosed
US-3949080-A ANTIMYCOTIC, TRIAZOLYL BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed