SCHEMBL6843058

SCHEMBL6843058

CCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCC)c4)c4ccc([nH]4)c(-c4cccc(OCCCC)c4)c4nc(c(-c5cccc(OCCCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TERT O14746 4/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ DHFR P00374 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ CYSLTR2 Q9NS75 1/20 0.41
▸ CYSLTR1 Q9Y271 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ FGFR1 P11362 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
SCHEMBL584884 0.95 TSHR (0.47) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12668273 0.91 TSHR (0.41) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL585553 0.89 TSHR (0.41) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL14806865 0.89 TSHR (0.41) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL585409 0.89 TSHR (0.41) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12057431 0.88 TSHR (0.41) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL27976875 0.88 TSHR (0.41) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL27976881 0.88 TSHR (0.41) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
Zinc Ion SCHEMBL27976882 0.88 TSHR (0.41) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8909559 0.87 TERT (0.42) TERTDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984041-B1 Metallised or metal-free phthalocyanine DEUTSCH ZENTR LUFT & RAUMFAHRT (DE) 2004-04-14 — — EP disclosed
EP-0891977-B1 5-(4-Hydroxyphenyl)-porphyrin derivatives as photosensitisers DLR EV (DE) 2003-01-29 — — EP disclosed
US-6107480-A 5-(HYDROXYLATEDPHENYL) PORPHYRIN DERIVATIVES WHICH MAY BE COVALENTLY BONDED TO SPECIFIED POLYMERS VIA THE HYDROXYLATED PHENYL GROUP; USE AS PHOTOSENSITIZERS FOR THE CATALYTIC FORMATION OF SINGLET OXYGEN DLR, DEUTSCHE ZENTRUM FUR LUFT UND RAUMFAHRT E.V. (DE) 2000-08-22 — — US disclosed
EP-0984041-A2 Metallised or metal-free phthalocyanine Deutsches Zentrum für Luft- und Raumfahrt e.V (DE) 2000-03-08 — — EP disclosed
EP-0891977-A1 5-(4-Hydroxyphenyl)-porphyrin derivatives as photosensitisers DLR Deutsches Zentrum für Luft- und Raumfahrt e.V. (DE) 1999-01-20 — — EP disclosed
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