SCHEMBL27554102

SCHEMBL27554102

Cc1cc(C)c(C(=O)c2cc(C)c(C(=O)[P](=O)c3ccccc3)c(C)c2C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ IGFBP3 P17936 1/20 0.30

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
SCHEMBL27483932 0.92 CYP2C9 (0.33) KMT2AHPGDMEN1LMNAALDH1A1
SCHEMBL27499051 0.88 NFE2L2 (0.35) CRHR1METAP2KMT2AHPGDMEN1
SCHEMBL615242 0.84 LMNA (0.37) METAP2KMT2AHPGDMEN1LMNA
SCHEMBL28781833 0.82 LMNA (0.36) CRHR1METAP2KMT2AHPGDMEN1
SCHEMBL2919385 0.82 LMNA (0.36) CRHR1METAP2KMT2AHPGDMEN1
Ammonia Solution, Strong SCHEMBL2909573 0.82 LMNA (0.36) CRHR1METAP2KMT2AHPGDMEN1
SCHEMBL2909743 0.82 LMNA (0.36) CRHR1METAP2KMT2AHPGDMEN1
Benzophenone SCHEMBL28167645 0.80 ALDH1A1 (0.42) KMT2AHPGDMEN1LMNASMN1; SMN2
SCHEMBL27485651 0.78 KMT2A (0.35) CRHR1KMT2AHPGDMEN1LMNA
SCHEMBL27485331 0.78 CYP3A4 (0.35) CRHR1KMT2AHPGDMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 — — CN disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 — — CN disclosed
Send feedback