SCHEMBL11682243

SCHEMBL11682243

CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 5/20 1.00
▸ SHBG P04278 7/20 0.69
▸ LMNA P02545 7/20 0.69
▸ NR3C1 P04150 5/20 0.69
▸ CYP2C19 P33261 4/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ BLM P54132 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ ADORA3 P0DMS8 1/20 0.69
▸ MAPK3 P27361 1/20 0.69
▸ SLC6A3 Q01959 1/20 0.69
▸ CYP17A1 P05093 2/20 0.66
▸ PGR P06401 4/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ ADRA1A P35348 1/20 0.65
▸ HTR2B P41595 1/20 0.65
▸ HSD17B10 Q99714 5/20 0.60
▸ TSHR P16473 5/20 0.60

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
SCHEMBL3052566 1.00 SERPINA6 (1.00) SERPINA6SHBGLMNANR3C1CYP2C19
SCHEMBL26178 1.00 SERPINA6 (1.00) SERPINA6SHBGLMNANR3C1CYP2C19
Acetic Acid SCHEMBL28423891 0.98 SERPINA6 (0.96) SERPINA6SHBGLMNANR3C1CYP2C19
SCHEMBL10868078 0.89 SERPINA6 (0.80) SERPINA6SHBGLMNANR3C1CYP2C19
SCHEMBL9221947 0.89 SERPINA6 (0.80) SERPINA6SHBGLMNANR3C1CYP2C19
SCHEMBL8755727 0.89 SERPINA6 (0.80) SERPINA6SHBGLMNANR3C1CYP2C19
Hydroxyprogesterone SCHEMBL23456341 0.82 LMNA (1.00) SERPINA6SHBGLMNANR3C1CYP2C19
Hydroxyprogesterone SCHEMBL13558389 0.82 LMNA (1.00) SERPINA6SHBGLMNANR3C1CYP2C19
Hydroxyprogesterone SCHEMBL14523053 0.82 LMNA (1.00) SERPINA6SHBGLMNANR3C1CYP2C19
Hydroxyprogesterone SCHEMBL18261234 0.82 LMNA (1.00) SERPINA6SHBGLMNANR3C1CYP2C19

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-4016270-A Method for treating dysmenorrhea with a uterine therapeutic system ALZA CORPORATION (US) 1977-04-05 — — US claimed
US-4016270-A Method for treating dysmenorrhea with a uterine therapeutic system ALZA CORPORATION (US) 1977-04-05 — — US disclosed
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