SCHEMBL6847412

SCHEMBL6847412

CCCCCCCCCCCCCOc1cccc(C=O)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ TLR4 O00206 1/20 0.57
▸ TLR2 O60603 1/20 0.57
▸ MAOA P21397 7/20 0.54
▸ MAOB P27338 7/20 0.54
▸ SMPD1 P17405 3/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ PLA2G4B P0C869 2/20 0.51
▸ GGPS1 O95749 1/20 0.50
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ CYSLTR2 Q9NS75 1/20 0.48

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
SCHEMBL8863665 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL3904389 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL10497495 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL10497778 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL8796357 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL6289516 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL10498103 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL584475 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL7756955 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL584671 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107971-B1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LTD (GB) 2004-11-24 — — EP disclosed
US-6630128-B1 Insoluble support DESTINY PHARMA LIMITED (GB) 2003-10-07 — — US disclosed
EP-1107971-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM Destiny Pharma Limited (GB) 2001-06-20 — — EP disclosed
WO-2000012512-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LIMITED (GB) 2000-03-09 — — WO disclosed
US-4187319-A HYDROCARBYLTHIO-SUBSTITUTED RICHARDSON-MERRELL INC. (US) 1980-02-05 — — US disclosed
US-4066788-A Substituted benzaldehyde hypolipidemic agents RICHARDSON-MERRELL INC. (US) 1978-01-03 — — US disclosed
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