SCHEMBL16564599

SCHEMBL16564599

C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@@H]1[C@H]1C[C@H]1[C@@]2(O)CCOC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.60
▸ AR P10275 10/20 0.60
▸ LMNA P02545 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ ABCB11 O95342 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ NR3C1 P04150 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ TBXA2R P21731 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
SCHEMBL3763965 0.88 PGR (0.60) PGRARLMNACYP3A4ABCB11
SCHEMBL16564563 0.88 PGR (0.49) PGRARLMNACYP3A4ABCB11
SCHEMBL16564393 0.86 PGR (0.58) PGRARLMNACYP3A4ABCB11
SCHEMBL13372581 0.82 PGR (0.60) PGRARLMNACYP3A4ABCB11
SCHEMBL13372652 0.82 PGR (0.60) PGRARLMNACYP3A4ABCB11
SCHEMBL16564466 0.82 PGR (0.41) PGRARLMNACYP3A4CYP2C19
SCHEMBL16564562 0.82 PGR (0.63) PGRARLMNACYP3A4CYP2C19
SCHEMBL16564430 0.82 PGR (0.63) PGRARLMNACYP3A4CYP2C19
SCHEMBL924095 0.79 PGR (0.60) PGRARLMNACYP3A4ABCB11
SCHEMBL921539 0.79 PGR (0.60) PGRARLMNACYP3A4ABCB11

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
EP-2238149-B1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER IP GMBH (DE) 2015-03-18 — — EP disclosed
Send feedback