SCHEMBL29706624

SCHEMBL29706624

CCCCCc1ccc2nn(-c3cc(C(C)(C)C)cc(C(C)CC)c3O)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
S1PR1 P21453 6/20 0.34
S1PR4 O95977 5/20 0.34
S1PR5 Q9H228 4/20 0.34
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 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
SCHEMBL712013 1.00 RORC (0.35) RORCS1PR1S1PR4S1PR5CYP3A4
SCHEMBL29706556 0.97 RORC (0.36) RORCS1PR1S1PR4S1PR5CYP3A4
SCHEMBL6454940 0.97 RORC (0.36) RORCS1PR1S1PR4S1PR5CYP3A4
SCHEMBL712574 0.89 RORC (0.34) RORCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3191876 0.85 RORC (0.44) RORCCYP3A4CYP1A2CYP2C9TSHR
SCHEMBL710817 0.84 MAPT (0.34) S1PR1S1PR4S1PR5CYP3A4CYP1A2
SCHEMBL29706523 0.84 MAPT (0.34) S1PR1S1PR4S1PR5CYP3A4CYP1A2
SCHEMBL29463599 0.83 NPC1 (0.45) RORCCYP3A4CYP1A2CYP2C9TSHR
SCHEMBL78803 0.83 NPC1 (0.45) RORCCYP3A4CYP1A2CYP2C9TSHR
SCHEMBL5447098 0.82 RORC (0.39) RORCCYP3A4CYP1A2CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601668-B Thermosensitive recording material and color-developing agent 索理思科技开曼公司 2022-07-29 CN disclosed