SCHEMBL21943781

SCHEMBL21943781

COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@H]1C1C2[C@@H]2C[C@H]1[C@@H](C(=O)OC)[C@H]2C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PPP1CC P36873 1/20 0.41
▸ 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
▸ SLC6A3 Q01959 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL21944022 0.91 PPM1B (0.39) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL15653978 0.84 PPM1B (0.48) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL12732732 0.84 PPM1B (0.43) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL16229114 0.83 ALDH1A1 (0.46) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL19687887 0.83 ALDH1A1 (0.46) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL24404660 0.81 PPM1B (0.42) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL6386977 0.81 CHRM2 (0.41) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL16229110 0.79 PPM1B (0.47) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL14357849 0.78 CHRM2 (0.42) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL21943782 0.78 ALDH1A1 (0.46) PPM1BPTPN1PPP1CCCYP2C19CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200133048-A1 POLYIMIDE FILM UBE INDUSTRIES, LTD. (JP) 2020-04-30 — — US disclosed
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