SCHEMBL10979918

SCHEMBL10979918

CCc1cccc2cccc(P(=O)(O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.42
▸ GABRB2 P47870 4/20 0.42
▸ ACP3 P15309 1/20 0.41
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ PTK2B Q14289 2/20 0.36
▸ ELANE P08246 2/20 0.36
▸ DAO P14920 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ ALPG P10696 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10343206 0.82 ALDH1A1 (0.41) ACP3NPC1POLBPTK2BALDH1A1
SCHEMBL344617 0.78 PTK2B (0.46) GABRA1GABRB2ACP3NPC1POLB
SCHEMBL3244580 0.77 GABRA1 (0.52) GABRA1GABRB2ELANEDAOALDH1A1
SCHEMBL10975376 0.77 CYP1A2 (0.38) ACP3NPC1POLBPTK2BELANE
SCHEMBL28630984 0.77 GABRA1 (0.45) GABRA1GABRB2ACP3NPC1POLB
SCHEMBL1537947 0.77 GABRA1 (0.45) GABRA1GABRB2ACP3NPC1POLB
Hydrochloric Acid SCHEMBL10824664 0.76 PTK2B (0.44) GABRA1GABRB2ACP3NPC1POLB
SCHEMBL18261811 0.73 GABRA1 (0.41) GABRA1GABRB2ACP3NPC1POLB
SCHEMBL3960209 0.72 HTR2A (0.59) GABRA1GABRB2ELANEDAOALDH1A1
SCHEMBL31732993 0.72 GABRA1 (0.48) GABRA1GABRB2ACP3ELANEDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038183-B1 POLYPHENYLENE ETHER RESIN COMPOSITIONS AND SHAPED ARTICLES THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-07-31 — — EP disclosed
US-4383066-A Polyphenylene ether resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-05-10 — — US disclosed
EP-0038183-A1 Polyphenylene ether resin compositions and shaped articles thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-10-21 — — EP disclosed
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