Ethane

Ethane

SCHEMBL11401460

CC.O=C(O)Cc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRZ1 P23471 4/20 0.59
▸ PTPN1 P18031 2/20 0.50
▸ NR1H4 Q96RI1 2/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ CA2 P00918 1/20 0.47
▸ CAMK2A Q9UQM7 1/20 0.47
▸ RXRA P19793 3/20 0.46
▸ RXRB P28702 3/20 0.46
▸ RXRG P48443 3/20 0.46
▸ AKR1B1 P15121 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ PPARG P37231 2/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ABCC4 O15439 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL963353 0.96 PTPRZ1 (0.63) PTPRZ1PTPN1NR1H4EPHX2CA2
Ethane SCHEMBL11271912 0.88 PTPRZ1 (0.46) PTPRZ1CA2CAMK2ARXRARXRB
SCHEMBL13169964 0.84 PTPRZ1 (0.61) PTPRZ1PTPN1NR1H4EPHX2ALDH1A1
SCHEMBL11444608 0.81 PTPRZ1 (0.44) PTPRZ1CA2CAMK2ARXRARXRB
SCHEMBL10655795 0.81 PTPRZ1 (0.58) PTPRZ1PTPN1NR1H4EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL11269350 0.80 PTPRZ1 (0.43) PTPRZ1CA2CAMK2ARXRARXRB
SCHEMBL9108524 0.80 PTPRZ1 (0.61) PTPRZ1PTPN1NR1H4EPHX2CA2
SCHEMBL13946807 0.79 PTPRZ1 (0.60) PTPRZ1PTPN1NR1H4EPHX2ALDH1A1
SCHEMBL8362761 0.77 CA2 (0.58) CA2CAMK2AAKR1B1ALDH1A1HPGD
SCHEMBL2646892 0.76 NR1H4 (0.51) PTPRZ1PTPN1NR1H4RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4284643-A Combating arthropods with novel fluorine-containing phenylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 — — US disclosed
Send feedback