SCHEMBL9514646

SCHEMBL9514646

C[CH]/C=C/C1=C(C)CCCC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
ALDH1A1 P00352 9/20 0.55
PTGS1 P23219 4/20 0.55
LMNA P02545 2/20 0.55
DRD3 P35462 2/20 0.55
SLCO1B3 Q9NPD5 1/20 0.55
SLCO1B1 Q9Y6L6 1/20 0.55
CYP3A4 P08684 5/20 0.50
APP P05067 4/20 0.50
SNCA P37840 4/20 0.50
ALOX15 P16050 3/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NR2E1 Q9Y466 1/20 0.50
HAO1 Q9UJM8 1/20 0.49
MAPT P10636 6/20 0.48
RXRA P19793 5/20 0.48
RARA P10276 4/20 0.48
RARB P10826 4/20 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
SCHEMBL9514652 1.00 CYP1A2 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL30112725 0.87 CYP1A2 (0.56) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL25118490 0.84 CYP1A2 (0.61) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL11070445 0.83 CYP1A2 (0.56) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL7694175 0.83 ALDH1A1 (0.60) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL9117657 0.83 ALDH1A1 (0.60) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL11070449 0.83 CYP1A2 (0.56) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL8776535 0.80 ALDH1A1 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL8950189 0.80 ALDH1A1 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL8460696 0.80 ALDH1A1 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358080-B1 Silicon naphthalocyanine with unsaturated ligands, and optical recording medium BASF AG (DE) 1993-12-01 EP disclosed
US-5047312-A Absorption in near infrared, laser light BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
EP-0358080-A2 Silicon naphthalocyanine with unsaturated ligands, and optical recording medium BASF Aktiengesellschaft (DE) 1990-03-14 EP disclosed