SCHEMBL11586276

SCHEMBL11586276

[CH2]C(=O)c1ccc(Oc2ccc(C([CH2])=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 9/20 0.65
▸ PARP15 Q460N3 4/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ PARP14 Q460N5 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ PARP16 Q8N5Y8 1/20 0.65
▸ PARP11 Q9NR21 1/20 0.65
▸ PARP4 Q9UKK3 1/20 0.65
▸ HPGD P15428 3/20 0.58
▸ MAPT P10636 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ PARP3 Q9Y6F1 1/20 0.50
▸ PARP2 Q9UGN5 2/20 0.48
▸ TNKS O95271 1/20 0.48
▸ TNKS2 Q9H2K2 1/20 0.48
▸ SRD5A2 P31213 2/20 0.48
▸ F2 P00734 2/20 0.47

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
SCHEMBL5422096 0.91 PARP10 (0.70) PARP10PARP15ALDH1A1PARP14KMT2A
SCHEMBL6469016 0.89 MMP1 (0.56) PARP10PARP15ALDH1A1PARP14KMT2A
SCHEMBL41284 0.80 CA1 (0.68) PARP10KMT2APARP4HPGDMAPT
SCHEMBL3137816 0.79 PARP10 (1.00) PARP10PARP15ALDH1A1PARP14KMT2A
SCHEMBL4947208 0.76 PARP10 (0.61) PARP10PARP15ALDH1A1PARP14KMT2A
Terephthalic Acid SCHEMBL9861713 0.76 PARP10 (0.78) PARP10PARP15ALDH1A1PARP14KMT2A
SCHEMBL5581520 0.76 PARP10 (0.78) PARP10PARP15ALDH1A1PARP14KMT2A
SCHEMBL22281 0.76 PARP10 (0.78) PARP10PARP15ALDH1A1PARP14KMT2A
SCHEMBL766069 0.76 PARP10 (0.78) PARP10PARP15ALDH1A1PARP14KMT2A
SCHEMBL25259867 0.75 ELANE (0.43) PARP10PARP15ALDH1A1PARP14KMT2A

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
US-4069341-A OXYBIS(4,1-PHENYLENE(2-OXO-2,1-ETHANEDIYL)) THIOCYANATE AND ITS USE AS AN ANTIMICROBIAL AGENT THE DOW CHEMICAL COMPANY (US) 1978-01-17 — — US claimed
US-4069341-A OXYBIS(4,1-PHENYLENE(2-OXO-2,1-ETHANEDIYL)) THIOCYANATE AND ITS USE AS AN ANTIMICROBIAL AGENT THE DOW CHEMICAL COMPANY (US) 1978-01-17 — — US disclosed
US-4069341-A OXYBIS(4,1-PHENYLENE(2-OXO-2,1-ETHANEDIYL)) THIOCYANATE AND ITS USE AS AN ANTIMICROBIAL AGENT THE DOW CHEMICAL COMPANY (US) 1978-01-17 — — US disclosed
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