SCHEMBL7129716

SCHEMBL7129716

OCC1(CO)CC=CCC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.47
MAOA P21397 18/20 0.39
MAOB P27338 18/20 0.39
ALDH1A1 P00352 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
SCHEMBL10629212 0.85 KDM1A (0.39) KDM1AMAOAMAOBALDH1A1
SCHEMBL11695069 0.71 KDM1A (0.44) KDM1AMAOAMAOBALDH1A1
SCHEMBL10629256 0.69 KDM1A (0.41) KDM1AMAOAMAOB
SCHEMBL11694822 0.69 KDM1A (0.45) KDM1AMAOAMAOBALDH1A1
SCHEMBL11865318 0.66 KDM1A (0.44) KDM1AMAOAMAOBALDH1A1
SCHEMBL10624748 0.65 ALDH1A1 (0.33) KDM1AMAOAMAOBALDH1A1
Hydrochloric Acid SCHEMBL11860269 0.65 KDM1A (0.45) KDM1AMAOAMAOBALDH1A1
SCHEMBL15766930 0.64 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL15766931 0.64 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL15780140 0.64 KDM1A (1.00) KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053461-A ELASTOMER VULCANIZATION DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-10-11 US claimed
US-6660825-B1 Containing epsilon-caprolactone and a dibasic acid as constructing component units and an organic diisocyanate can provide a spandex filament which is excellent in elasticity, strength, hydrolysis resistance, and heat resistance DAICEL CHEMICAL INDUSTRIES, LTD (JP) 2003-12-09 US disclosed
US-4053461-A ELASTOMER VULCANIZATION DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-10-11 US disclosed
US-3968074-A CROSSLINKING ELASTOMERS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-07-06 US disclosed