SCHEMBL9638799

SCHEMBL9638799

COc1c(C)cc(SP(=O)(Cl)Cl)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
ACHE P22303 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 1/20 0.30
TUBB2B Q9BVA1 1/20 0.30
TUBB1 Q9H4B7 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
SCHEMBL10624729 0.72 ACHE (0.39) ALDH1A1TAS1R3TAS1R1TDP1ACHE
SCHEMBL12325397 0.72 ACHE (0.39) ALDH1A1TDP1ACHETUBB4ATUBB
SCHEMBL14337804 0.69 ALDH1A1 (0.38) ALDH1A1TAS1R3TAS1R1TDP1ACHE
SCHEMBL6413134 0.69 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1TDP1ACHE
SCHEMBL14337807 0.65 ALDH1A1 (0.38) ALDH1A1TAS1R3TAS1R1ACHESRC
SCHEMBL12504651 0.65 SCN4A (0.44) ALDH1A1TDP1ACHE
SCHEMBL10030804 0.64 ACHE (0.43) ALDH1A1TDP1ACHE
SCHEMBL129762 0.64 ACHE (0.57) ALDH1A1TDP1ACHETUBB4ATUBB
SCHEMBL14700548 0.63 HTT (0.42) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2955343 0.62 ALDH1A1 (0.56) ALDH1A1ACHE

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-5081272-A PROCESS FOR PREPARATION OF PHOSPHORODICHLOROTHIOATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
US-4056581-A Process for the preparation of phosphorodichloridothiolates ROHM AND HAAS COMPANY (US) 1977-11-01 US disclosed