SCHEMBL9623685

SCHEMBL9623685

Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 13/20 0.48
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1157695 0.97 RAPGEF4 (0.50) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL23578512 0.84 RAPGEF4 (0.42) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL18462944 0.84 RAPGEF4 (0.45) RAPGEF4ALDH1A1TSHRCYP1A2CYP2A6
SCHEMBL26194225 0.84 RAPGEF4 (0.45) RAPGEF4ALDH1A1TSHRCYP1A2CYP2A6
SCHEMBL3873048 0.84 ALDH1A1 (0.50) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL5553797 0.82 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL12938568 0.82 RAPGEF4 (0.39) RAPGEF4
SCHEMBL27170430 0.82 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL85680 0.80 RAPGEF4 (0.42) RAPGEF4CYP1A2CYP2A6FFAR4TP53
SCHEMBL13456155 0.80 FFAR4 (0.46) RAPGEF4ALDH1A1KDM4ETSHRFFAR4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP disclosed
US-4977255-A Steroidal 17α-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1990-12-11 US disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
EP-0334875-A1 STEROIDAL 17$g(a)-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1989-10-04 EP disclosed
EP-0268400-A1 Steroidal 17alpha-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1988-05-25 EP disclosed
WO-1988003534-A1 STEROIDAL 17alpha-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1988-05-19 WO disclosed