SCHEMBL14038527

SCHEMBL14038527

BCCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCCC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ RAB9A P51151 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ XDH P47989 1/20 0.38
▸ CYP2D6 P10635 8/20 0.38
▸ CYP3A4 P08684 7/20 0.38
▸ CYP1A2 P05177 6/20 0.38
▸ CYP2C9 P11712 6/20 0.38
▸ CYP2C19 P33261 6/20 0.38
▸ CYP19A1 P11511 5/20 0.38
▸ ATP4A P20648 1/20 0.36
▸ ATP4B P51164 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36

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
SCHEMBL21523873 0.91 STAT3 (0.53) STAT3STAT1RAB9AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL27856204 0.88 STAT3 (0.50) STAT3STAT1RAB9AHPGDSMN1; SMN2
SCHEMBL585094 0.87 STAT3 (0.48) STAT3STAT1RAB9AHPGDSMN1; SMN2
SCHEMBL585086 0.84 STAT3 (0.55) STAT3STAT1ATP4AATP4BTERT
SCHEMBL584752 0.84 STAT3 (0.50) STAT3STAT1RAB9AHPGDSMN1; SMN2
SCHEMBL12230354 0.84 STAT3 (0.46) STAT3STAT1RAB9AHPGDSMN1; SMN2
SCHEMBL15673545 0.84 STAT3 (0.46) STAT3STAT1RAB9AHPGDSMN1; SMN2
SCHEMBL17722680 0.84 STAT3 (0.46) STAT3STAT1RAB9AHPGDSMN1; SMN2
Exeporfinium SCHEMBL585997 0.84 STAT3 (0.52) STAT3STAT1RAB9AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL584371 0.83 STAT3 (0.49) STAT3STAT1RAB9AHPGDSMN1; SMN2

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-20080281091-A1 Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) BRUNDISH DEREK 2008-11-13 — — US disclosed
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