SCHEMBL9016332

SCHEMBL9016332

Cc1ccc(C(P)(c2ccc(C)cc2)c2ccccc2-c2ccccc2C(P)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.36
ACHE P22303 2/20 0.36
ALOX12 P18054 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
KIF11 P52732 3/20 0.35
TDP1 Q9NUW8 4/20 0.35
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HKDC1 Q2TB90 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 1/20 0.32
HPGD P15428 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
SCHEMBL1326257 0.84 KCNN4 (0.36) TSHRKIF11ALDH1A1CYP2C9CYP1A2
SCHEMBL9016337 0.80 CNR1 (0.40) TSHRLMNAACHEMEN1KMT2A
SCHEMBL7714999 0.79 TSHR (0.48) TSHRLMNAACHEALOX12MEN1
SCHEMBL7179934 0.78 TSHR (0.55) TSHRLMNAACHEALOX12KIF11
SCHEMBL19002958 0.77 KCNN4 (0.31) TSHRALDH1A1
Iodide SCHEMBL11522125 0.76 TSHR (0.52) TSHRLMNAACHEALOX12KIF11
SCHEMBL9016328 0.76 ACHE (0.39) TSHRACHETDP1ALDH1A1NPC1
SCHEMBL411476 0.74 ALDH1A1 (0.38) TSHRKIF11TDP1NPSR1ALDH1A1
SCHEMBL19002936 0.74 NPC1 (0.32) L3MBTL1ALDH1A1NPC1RAB9A
Bromide SCHEMBL659623 0.72 ALDH1A1 (0.37) TSHRKIF11TDP1ALDH1A1HSD11B1

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-0683786-B1 PROCESS FOR THE PREPARATION OF LITHIUM DIARYLPHOSPHIDES AND ALKYLATED DERIVATIVES THEREOF EASTMAN CHEM CO (US) 1996-12-18 EP disclosed
EP-0683786-A1 PROCESS FOR THE PREPARATION OF LITHIUM DIARYLPHOSPHIDES AND ALKYLATED DERIVATIVES THEREOF. EASTMAN CHEM CO (US) 1995-11-29 EP disclosed
US-5354894-A Treating triarylphosphine with lithium and a primary or secondary amine EASTMAN CHEMICAL COMPANY (US) 1994-10-11 US disclosed
WO-1994018211-A1 PROCESS FOR THE PREPARATION OF LITHIUM DIARYLPHOSPHIDES AND ALKYLATED DERIVATIVES THEREOF EASTMAN CHEMICAL COMPANY (US) 1994-08-18 WO disclosed
US-5288912-A Hydrohalogenation of a triarylphosphine; alkylation; using lithium diarylphosphine as chemical intermediate EASTMAN KODAK COMPANY (US) 1994-02-22 US disclosed