SCHEMBL11303293

SCHEMBL11303293

CC(C(=O)O)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
FOLH1 Q04609 1/20 0.51
CETP P11597 3/20 0.50
ELANE P08246 2/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.43
SLC1A1 P43005 3/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PRTN3 P24158 1/20 0.42
MAPK1 P28482 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
SCHEMBL11302597 0.85 ELANE (0.51) TSHRFOLH1CETPELANEALDH1A1
SCHEMBL31308128 0.84 LMNA (0.51) TSHRFOLH1CETPELANEALDH1A1
SCHEMBL10832549 0.82 TSHR (0.58) TSHRFOLH1CETPELANEALDH1A1
SCHEMBL13711507 0.82 TSHR (0.57) TSHRFOLH1CETPELANEALDH1A1
SCHEMBL31549517 0.81 TSHR (0.53) TSHRFOLH1CETPELANEALDH1A1
SCHEMBL23732772 0.80 TSHR (0.60) TSHRFOLH1CETPELANEALDH1A1
SCHEMBL10832425 0.78 TSHR (0.62) TSHRFOLH1CETPALDH1A1KDM4E
SCHEMBL7376215 0.78 TSHR (0.53) TSHRFOLH1CETPSLC1A1SLC1A3
SCHEMBL7376210 0.78 TSHR (0.53) TSHRFOLH1CETPSLC1A1SLC1A3
SCHEMBL11310007 0.78 POLB (0.50) TSHRFOLH1CETPALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119451970-A N-substituted indole derivatives and conjugates thereof for the treatment of cancer 埃维克斯塔生物公司 2025-02-14 CN disclosed
EP-0000833-B1 DERIVATIVES OF PHOSPHONOACYL PROLINES AND THEIR PHARMACEUTICAL USE E.R. Squibb & Sons, Inc. (US) 1981-09-02 EP disclosed
US-4151172-A Phosphonoacyl prolines and related compounds E. R. SQUIBB & SONS, INC. (US) 1979-04-24 US disclosed
EP-0000833-A1 Derivatives of phosphonoacyl prolines and their pharmaceutical use E.R. Squibb & Sons, Inc. (US) 1979-02-21 EP disclosed