SCHEMBL9699314

SCHEMBL9699314

CCOc1cc(Cl)ccc1P(CCCCP(c1ccc(Cl)cc1OCC)c1ccc(Cl)cc1OCC)c1ccc(Cl)cc1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TACR2 P21452 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL9150373 0.79 TRPV4 (0.42) HPGDMAPTSLC6A2SLC6A4GAA
SCHEMBL10386825 0.78 KDM4E (0.45) TSHRHPGDMAPTSMN1; SMN2MEN1
SCHEMBL10540535 0.75 ALDH1A1 (0.47) HPGDMAPTCYP1A2CYP2D6GAA
SCHEMBL2525158 0.74 TSHR (0.56) TSHRHPGDMAPTHTR2CHTR2B
SCHEMBL9700354 0.74 KDM4E (0.47) TSHRHPGDMAPTCYP1A2MEN1
SCHEMBL1311327 0.72 TSHR (0.50) TSHRHPGDMAPTHTR2CHTR2B
SCHEMBL29483410 0.72 TSHR (0.50) TSHRHPGDMAPTHTR2CHTR2B
SCHEMBL30680642 0.72 ALDH1A1 (0.47) HPGDMAPTCYP1A2CYP2D6GAA
SCHEMBL8371903 0.72 ALDH1A1 (0.47) HPGDMAPTCYP1A2CYP2D6GAA
SCHEMBL10304975 0.71 TSHR (0.49) TSHRHPGDMAPTHTR2CHTR2B

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
US-5116797-A POLYMERIZATION PROCESS SHELL OIL COMPANY (US) 1992-05-26 US disclosed
US-5010170-A Polymerization of carbon monoxide/olefin with at least one tetra aryl diphosphine ligand SHELL OIL COMPANY (US) 1991-04-23 US disclosed