SCHEMBL28021790

SCHEMBL28021790

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC(C(=O)O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.66
ALDH1A1 P00352 6/20 0.66
CYP3A4 P08684 5/20 0.66
SERPINA6 P08185 5/20 0.66
LMNA P02545 4/20 0.66
MAPT P10636 4/20 0.66
MAPK1 P28482 3/20 0.66
CYP2C9 P11712 2/20 0.66
TSHR P16473 2/20 0.66
HIF1A Q16665 2/20 0.66
GPBAR1 Q8TDU6 2/20 0.66
ABCB11 O95342 2/20 0.66
SHBG P04278 2/20 0.66
NR3C2 P08235 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP2C19 P33261 1/20 0.66
KDM4E B2RXH2 1/20 0.66
SLC22A2 O15244 1/20 0.66
SLC22A1 O15245 1/20 0.66

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
SCHEMBL25433090 0.92 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA
SCHEMBL28716683 0.90 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA
SCHEMBL10723863 0.89 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA
Acetic Acid SCHEMBL4651980 0.88 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA
Bicarbonate SCHEMBL6684636 0.88 CYP3A4 (0.65) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA
Acetic Acid SCHEMBL2042107 0.88 CYP3A4 (0.65) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA
SCHEMBL571703 0.88 CYP3A4 (0.67) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA
SCHEMBL4747200 0.88 CYP3A4 (0.67) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA
SCHEMBL2724646 0.88 CYP3A4 (0.67) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA
SCHEMBL25333984 0.88 CYP3A4 (0.67) SMN1; SMN2ALDH1A1CYP3A4SERPINA6LMNA

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
CN-114292305-A Pharmaceutical co-crystal of progesterone and formic acid derivative and application thereof 国家卫生健康委科学技术研究所 2022-04-08 CN disclosed
CN-105085596-A Preparation method of progesterone carboxylate HUBEI ZHUXI RENFU PHARMACEUTICAL CO LTD 2015-11-25 CN disclosed
CN-105085596-A Preparation method of progesterone carboxylate HUBEI ZHUXI RENFU PHARMACEUTICAL CO LTD 2015-11-25 CN disclosed