SCHEMBL28043117

SCHEMBL28043117

Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1.OP(O)(O)=S

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.68
▸ TSHR P16473 2/20 0.68
▸ SRC P12931 1/20 0.52
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HCRTR1 O43613 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 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
Phosphoric Acid SCHEMBL6848420 0.93 CYP3A4 (0.73) CYP3A4TSHRSRCMEN1KMT2A
Triphenyl Phosphate SCHEMBL4087814 0.91 CYP3A4 (0.83) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL381595 0.91 CYP3A4 (0.83) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL9657737 0.91 CYP3A4 (0.83) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL35597 0.91 CYP3A4 (0.83) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL34999 0.86 CYP3A4 (0.68) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL12728748 0.85 CYP3A4 (0.73) CYP3A4TSHRSRCMEN1KMT2A
Phosphoric Acid SCHEMBL7154747 0.85 TSHR (0.86) CYP3A4TSHRSRCMEN1KMT2A
SCHEMBL14051583 0.84 CYP3A4 (0.70) CYP3A4TSHRMEN1KMT2ALMNA
Biphenyl SCHEMBL28859831 0.83 CYP3A4 (0.76) CYP3A4TSHRSRCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023403-A Composition for thermoplastic elastomer, body and container 旭化成株式会社 2019-07-16 — — CN disclosed
CN-105431507-A Refrigerator oil, and working fluid composition for refrigerators which is produced using same KH NEOCHEM CO LTD 2016-03-23 — — CN disclosed
CN-105164238-A Lubricating oil composition IDEMITSU KOSAN CO 2015-12-16 — — CN disclosed
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