SCHEMBL13902832

SCHEMBL13902832

COC(=O)[C@H]1C2C3C=CC(C3)C2[C@@H]1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PPP1CC P36873 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL3921202 1.00 PPM1B (0.37) PPM1BPTPN1PPP1CCSMN1; SMN2PKM
SCHEMBL18906482 1.00 PPM1B (0.37) PPM1BPTPN1PPP1CCSMN1; SMN2PKM
SCHEMBL1089967 0.96 PPM1B (0.37) PPM1BPTPN1PPP1CCSMN1; SMN2PKM
SCHEMBL5732376 0.86 ALDH1A1 (0.44) PPM1BPTPN1PPP1CCSMN1; SMN2PKM
SCHEMBL147771 0.86 ALDH1A1 (0.44) PPM1BPTPN1PPP1CCSMN1; SMN2PKM
SCHEMBL7197213 0.86 ALDH1A1 (0.44) PPM1BPTPN1PPP1CCSMN1; SMN2PKM
SCHEMBL18461270 0.86 ALDH1A1 (0.44) PPM1BPTPN1PPP1CCSMN1; SMN2PKM
SCHEMBL14827588 0.86 ALDH1A1 (0.44) PPM1BPTPN1PPP1CCSMN1; SMN2PKM
SCHEMBL30363373 0.86 ALDH1A1 (0.44) PPM1BPTPN1PPP1CCSMN1; SMN2PKM
SCHEMBL28062749 0.86 ALDH1A1 (0.44) PPM1BPTPN1PPP1CCSMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507522-B2 Photoresists comprising polymers derived from fluoroalcohol-substituted polycyclic monomers E. I. DUPONT DE NEMOURS AND COMPANY (US) 2009-03-24 — — US disclosed
US-20070207413-A1 Photoroesists Comprising Polymers Derived From Fluoroalcohol-Substituted Polycyclic Monomers DUPONT ELECTRONICS, INC. 2007-09-06 — — US disclosed
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