SCHEMBL9719713

SCHEMBL9719713

CC(c1ccc(Cl)cc1)C1(C2(Cl)CC2)CO1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
BRD4 O60885 1/20 0.37
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 5/20 0.33
HSD11B1 P28845 3/20 0.33
SLC6A2 P23975 2/20 0.32
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
HIF1A Q16665 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9588668 0.71 KMT2A (0.34) SLC6A4SLC6A3TDP1HPGD
SCHEMBL9145085 0.70 ADRB2 (0.39) ADRB2BRD4SLC6A4SLC6A3HSD11B1
SCHEMBL9719730 0.69 GRIN2B (0.36) ADRB2SLC6A4SLC6A3SLC6A2TSHR
SCHEMBL9801371 0.65 SLC6A2 (0.36) ADRB2BRD4SLC6A4SLC6A3SLC6A2
SCHEMBL9801448 0.64 MEN1 (0.38) ADRB2BRD4SLC6A4SLC6A3HSD11B1
SCHEMBL9719725 0.63 BRD4 (0.46) ADRB2BRD4HPGDSMN1; SMN2
SCHEMBL11960070 0.63 BRD4 (0.46) ADRB2BRD4SLC6A4SLC6A3SLC6A2
SCHEMBL11960022 0.63 BRD4 (0.46) ADRB2BRD4SLC6A4SLC6A3SLC6A2
SCHEMBL197810 0.62 ADRB2 (0.65) ADRB2BRD4SLC6A3SLC6A2TSHR
SCHEMBL4445207 0.60 ADRB2 (0.62) ADRB2BRD4SLC6A3SLC6A2TSHR

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-5079374-A Cyclopropyl-oxirane compounds as intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
US-4983208-A Plant diseases, cereal crops BAYER AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed
EP-0298332-B1 HYDROXY-ALKYLAZOLYL DERIVATIVES BAYER AG (DE) 1990-11-28 EP disclosed
US-4925482-A Fungicidal and plant growth-regulating hydroxyalkyl-azolyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
US-4925865-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
EP-0336186-A2 Derivatives of triazolylmethylcyclopropyl-carbinols as material protecting agents BAYER AG (DE) 1989-10-11 EP disclosed
EP-0313783-A1 Antimycotic composition BAYER AG (DE) 1989-05-03 EP disclosed
EP-0298332-A1 Hydroxy-alkylazolyl derivatives BAYER AG (DE) 1989-01-11 EP disclosed