SCHEMBL11389688

SCHEMBL11389688

Cc1cc(Cl)ccc1OC(Br)C(=O)C(C)(C)CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALOX12 P18054 1/20 0.43
TRPM4 Q8TD43 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL11513946 0.86 TSHR (0.56) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL11390990 0.82 HPGD (0.36) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL11292911 0.79 PPARA (0.41) TSHRHTR2AMAPTNPSR1CYP1A2
SCHEMBL11391260 0.78 OGG1 (0.45) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL11398917 0.78 LMNA (0.39) TSHRLMNASMN1; SMN2TDP1GAA
SCHEMBL11396248 0.77 SMN1; SMN2 (0.46) MAPTSMN1; SMN2ALDH1A1TDP1NPC1
SCHEMBL11385634 0.77 HPGD (0.40) TSHRLMNAMAPTNPSR1KDM4E
SCHEMBL11160254 0.76 SMN1; SMN2 (0.49) TSHRLMNAMAPTSMN1; SMN2HTT
SCHEMBL11634149 0.76 TSHR (0.54) TSHRHTR2AHTR2CHTR2BLMNA
SCHEMBL11392994 0.76 PPARA (0.42) TSHRHTR2AMAPTNPSR1CYP1A2

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
US-4255434-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed