SCHEMBL24103137

SCHEMBL24103137

CC1CC2(C)C(OC(=O)CCC(=O)O)CCC2C2CCC3=CC(=O)CCC3C12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.62
▸ MAPT P10636 6/20 0.57
▸ LMNA P02545 6/20 0.56
▸ PGR P06401 3/20 0.50
▸ HIF1A Q16665 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ SERPINA6 P08185 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ SHBG P04278 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ NR1I2 O75469 2/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL24102423 1.00 AR (0.62) ARMAPTLMNAPGRHIF1A
SCHEMBL25868255 0.96 AR (0.66) ARMAPTLMNAPGRHIF1A
SCHEMBL24102820 0.95 AR (0.65) ARMAPTLMNAPGRHIF1A
SCHEMBL24102832 0.95 AR (0.65) ARMAPTLMNAPGRHIF1A
SCHEMBL24103169 0.91 AR (0.62) ARMAPTLMNAPGRHIF1A
SCHEMBL24102638 0.90 AR (0.59) ARMAPTLMNAPGRHIF1A
SCHEMBL24102628 0.90 AR (0.62) ARMAPTLMNAPGRHIF1A
SCHEMBL24102445 0.90 AR (0.57) ARMAPTLMNAPGRHIF1A
SCHEMBL24102412 0.89 AR (0.67) ARMAPTLMNAPGRHIF1A
SCHEMBL25863274 0.88 AR (0.79) ARMAPTLMNAPGRSMN1; SMN2

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-2021252761-A2 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-12-16 — — WO disclosed
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