SCHEMBL20939738

SCHEMBL20939738

CCC12CCC3C4CCC(=O)C=C4CCC3C1CCC2OC(=O)CCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.78
▸ LMNA P02545 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SERPINA6 P08185 2/20 0.45
▸ SHBG P04278 2/20 0.45
▸ SLC22A1 O15245 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PGR P06401 4/20 0.44
▸ AR P10275 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL11865530 1.00 MAPT (0.78) MAPTLMNAALDH1A1MCL1CYP1A2
SCHEMBL11864214 0.93 MAPT (0.76) MAPTLMNAALDH1A1MCL1CYP1A2
SCHEMBL11857267 0.92 MAPT (0.73) MAPTLMNAALDH1A1MCL1CYP1A2
SCHEMBL11862043 0.91 MAPT (0.75) MAPTLMNAALDH1A1MCL1CYP1A2
Nandrolone Phenpropionate SCHEMBL29396630 0.88 MAPT (1.00) MAPTLMNAALDH1A1MCL1CYP1A2
Nandrolone Phenpropionate SCHEMBL15285479 0.88 MAPT (1.00) MAPTLMNAALDH1A1MCL1CYP1A2
Nandrolone Phenpropionate SCHEMBL8443 0.88 MAPT (1.00) MAPTLMNAALDH1A1MCL1CYP1A2
SCHEMBL20939470 0.87 MAPT (0.59) MAPTLMNAALDH1A1MCL1CYP1A2
SCHEMBL11857201 0.86 LMNA (0.61) MAPTLMNAALDH1A1MCL1CYP1A2
SCHEMBL11856445 0.86 LMNA (0.77) MAPTLMNAALDH1A1MCL1CYP1A2

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
WO-2019078983-A1 LONGER-ACTING PROGESTIN PRODRUG CONTRACEPTIVES EVESTRA, INC. (US) 2019-04-25 — — WO disclosed
Send feedback