SCHEMBL8791231

SCHEMBL8791231

Cc1cc(C)c(C(C)(C)CC=O)c(OP(=O)(OCc2ccccc2)OCc2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.33
▸ CETP P11597 3/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31

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
SCHEMBL29572668 0.84 CETP (0.38) TSHRMEN1KMT2AMRGPRX4CETP
SCHEMBL8791075 0.84 TSHR (0.37) SRCTSHRMEN1KMT2AMRGPRX4
SCHEMBL1462554 0.84 CETP (0.38) TSHRMEN1KMT2AMRGPRX4CETP
SCHEMBL18114054 0.83 MEN1 (0.39) TSHRMEN1KMT2A
SCHEMBL12744552 0.83 CETP (0.38) TSHRMEN1KMT2AMRGPRX4CETP
SCHEMBL30460515 0.82 SMPD1 (0.37) TSHRMEN1KMT2AMRGPRX4CETP
SCHEMBL23066880 0.79 CETP (0.34) TSHRMEN1KMT2AMRGPRX4CETP
SCHEMBL8790985 0.79 BTN3A1 (0.33) TSHRMEN1KMT2AMRGPRX4
SCHEMBL29868024 0.79 BTN3A1 (0.33) TSHRMEN1KMT2AMRGPRX4
SCHEMBL22905924 0.78 CETP (0.34) MEN1KMT2AMRGPRX4CETPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558959-B1 Phosphonooxy and carbonate derivatives of taxol BRISTOL MYERS SQUIBB CO (US) 1997-04-16 — — EP disclosed
US-H1487-H Antitumor agents; treatment of ovarian, breast and other cancers BRISTOL-MYERS SQUIBB COMPANY (US) 1995-09-05 — — US disclosed
US-5272171-A Phosphonooxy and carbonate derivatives of taxol BRISTOL-MYERS SQUIBB COMPANY (US) 1993-12-21 — — US disclosed
EP-0569281-A1 Benzoate derivatives of taxol Bristol-Myers Squibb Company (US) 1993-11-10 — — EP disclosed
EP-0558959-A1 Phosphonooxy and carbonate derivatives of taxol Bristol-Myers Squibb Company (US) 1993-09-08 — — EP disclosed
Send feedback