SCHEMBL3368099

SCHEMBL3368099

O=C(O)c1ccc(Cc2cccc(-c3ccccc3Cl)c2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ NR4A2 P43354 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ SRD5A2 P31213 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ ELANE P08246 2/20 0.40
▸ RARG P13631 1/20 0.39
▸ RORC P51449 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
SCHEMBL365480 0.79 SMN1; SMN2 (0.67) TSHRSMN1; SMN2NPSR1NR4A2HPGD
SCHEMBL6248551 0.74 TSHR (0.69) TSHRSRD5A2ALDH1A1
SCHEMBL560291 0.73 HSP90AA1 (0.58) HPGDMEN1KMT2AELANECTSG
SCHEMBL29087479 0.72 TSHR (0.54) TSHRSMN1; SMN2RXRASRD5A2NPC1
SCHEMBL27986872 0.71 TSHR (0.69) TSHRSMN1; SMN2HPGDRXRARXRB
SCHEMBL69041 0.71 TSHR (1.00) TSHRHPGDSRD5A2KDM4EALDH1A1
SCHEMBL11464000 0.71 TSHR (0.50) TSHRSMN1; SMN2NR4A2SRD5A2NPC1
SCHEMBL2034240 0.70 CYP2A6 (0.61) TSHRSMN1; SMN2NPSR1NR4A2HPGD
SCHEMBL20370925 0.70 TSHR (0.63) TSHRSMN1; SMN2SRD5A2
Benzoic Acid SCHEMBL9161402 0.69 TSHR (0.61) TSHRSMN1; SMN2NR4A2HPGDRXRA

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
EP-2159228-A1 Amphiphilic solid support Polymer Laboratories Limited (GB) 2010-03-03 — — EP disclosed
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