SCHEMBL10429393

SCHEMBL10429393

C=CCc1ccccc1[CH]O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
AKR1B1 P15121 1/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 6/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX12 P18054 2/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30679 0.84 GABRA1 (0.47) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL3297831 0.84 GABRA1 (0.47) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL10339711 0.82 GABRA1 (0.45) GABRA1GABRB2AKR1B1KMT2AMEN1
Methane SCHEMBL28621463 0.82 GABRA1 (0.45) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL7911646 0.82 GABRA1 (0.45) GABRA1GABRB2AKR1B1KMT2AMEN1
Charcoal, Activated SCHEMBL9723291 0.82 GABRA1 (0.45) GABRA1GABRB2AKR1B1KMT2AMEN1
Hydrogen Peroxide SCHEMBL10784213 0.80 GABRA1 (0.58) GABRA1GABRB2AKR1B1KMT2AMEN1
Hydrogen Peroxide SCHEMBL7819301 0.80 GABRA1 (0.58) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL1003777 0.80 GABRA1 (0.44) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL7125533 0.80 GABRA1 (0.44) GABRA1GABRB2AKR1B1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956351-A INCLUSION COMPLEXESOFVIRICIDES; RHINITIS; SUSTAINED RELEASE; NONIRRITATING TO MUCOUS MEMBRANE JANSSEN PHARMACEUTICA N.V. FRAME-543 (BE) 1990-09-11 US claimed
EP-0300526-A2 Antiviral pharmaceutical compositions containing cyclodextrins JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP claimed
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 US claimed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US claimed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 US claimed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US claimed
US-4956351-A INCLUSION COMPLEXESOFVIRICIDES; RHINITIS; SUSTAINED RELEASE; NONIRRITATING TO MUCOUS MEMBRANE JANSSEN PHARMACEUTICA N.V. FRAME-543 (BE) 1990-09-11 US disclosed
EP-0300526-A2 Antiviral pharmaceutical compositions containing cyclodextrins JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP disclosed
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 US disclosed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed