SCHEMBL31010896

SCHEMBL31010896

COC(=O)[C@@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ PPP1CC P36873 1/20 0.53
▸ POLB P06746 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL31010895 1.00 PPM1B (0.53) PPM1BPTPN1PPP1CCPOLBSMN1; SMN2
SCHEMBL25277941 1.00 PPM1B (0.53) PPM1BPTPN1PPP1CCPOLBSMN1; SMN2
SCHEMBL14357831 0.90 PPM1B (0.49) PPM1BPTPN1PPP1CCPOLBSMN1; SMN2
SCHEMBL15646197 0.87 PPM1B (0.57) PPM1BPTPN1PPP1CCPOLBSMN1; SMN2
SCHEMBL15645793 0.87 PPM1B (0.57) PPM1BPTPN1PPP1CCPOLBSMN1; SMN2
SCHEMBL15645791 0.87 PPM1B (0.57) PPM1BPTPN1PPP1CCPOLBSMN1; SMN2
SCHEMBL15647516 0.87 PPM1B (0.57) PPM1BPTPN1PPP1CCPOLBSMN1; SMN2
SCHEMBL7354850 0.87 PPM1B (0.45) PPM1BPTPN1PPP1CCSMN1; SMN2CHRM2
SCHEMBL16448666 0.87 PPM1B (0.45) PPM1BPTPN1PPP1CCSMN1; SMN2CHRM2
SCHEMBL6551846 0.87 PPM1B (0.45) PPM1BPTPN1PPP1CCPOLBSMN1; SMN2

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
CN-118434712-A Bicyclo [3.2.0] heptane bis (amide) RXFP1 agonists 百时美施贵宝公司 2024-08-02 — — CN disclosed
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