SCHEMBL7987712

SCHEMBL7987712

COCOc1c(C)cc(C(=O)Cl)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
GLRA1 P23415 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL14204423 0.84 PTPN1 (0.47) PTPN1THRATHRBALDH1A1TAS1R3
SCHEMBL8131511 0.84 PTPN1 (0.44) PTPN1ALDH1A1PLAUEGFRMEN1
SCHEMBL986584 0.79 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7987373 0.78 TNFRSF1A (0.37) PTPN1GLRA1EGFRKDM4ELMNA
SCHEMBL2558599 0.78 GRM5 (0.39) GLRA1EGFRGRM5KDM4EMEN1
SCHEMBL5017419 0.77 THRA (0.55) THRATHRBALDH1A1PLAUKDM4E
SCHEMBL12377614 0.76 HTT (0.36) GLRA1THRATHRBALDH1A1KDM4E
SCHEMBL261291 0.76 KDM4E (0.38) GLRA1THRATHRBALDH1A1KDM4E
SCHEMBL6543977 0.75 PTPN1 (0.41) PTPN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11343479 0.75 THRA (0.63) THRATHRB

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed