SCHEMBL23458371

SCHEMBL23458371

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
MAPT P10636 4/20 0.54
SRD5A2 P31213 1/20 0.54
CYP3A4 P08684 3/20 0.52
NR1I2 O75469 2/20 0.52
PGR P06401 2/20 0.52
AR P10275 2/20 0.52
NR3C1 P04150 1/20 0.52
CYP17A1 P05093 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
OPRK1 P41145 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ESR1 P03372 1/20 0.51
POLB P06746 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51

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
SCHEMBL2251175 0.84 SRD5A2 (0.61) LMNAMAPTSRD5A2CYP3A4NR1I2
SCHEMBL216171 0.84 SRD5A2 (0.61) LMNAMAPTSRD5A2CYP3A4NR1I2
SCHEMBL14694447 0.80 LMNA (0.98) LMNAMAPTCYP3A4NR1I2PGR
SCHEMBL11232680 0.80 SRD5A2 (0.56) LMNAMAPTSRD5A2CYP3A4NR1I2
SCHEMBL17537539 0.80 LMNA (1.00) LMNAMAPTCYP3A4NR1I2PGR
SCHEMBL11429123 0.80 LMNA (1.00) LMNAMAPTCYP3A4NR1I2PGR
SCHEMBL17541885 0.80 LMNA (1.00) LMNAMAPTCYP3A4NR1I2PGR
Testosterone Enanthate SCHEMBL19644909 0.80 LMNA (1.00) LMNAMAPTCYP3A4NR1I2PGR
SCHEMBL17541905 0.80 LMNA (1.00) LMNAMAPTCYP3A4NR1I2PGR
Testosterone Undecanoate SCHEMBL17545317 0.80 LMNA (1.00) LMNAMAPTCYP3A4NR1I2PGR

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-2021110987-A1 METHODS AND APPARATUSES FOR DIAGNOSING CANCER FROM CELL-FREE NUCLEIC ACIDS LIFE & SOFT (FR) 2021-06-10 WO disclosed