SCHEMBL8562232

SCHEMBL8562232

CCCCCCCCCCCCCCC(NC(=O)CCCCCCCCCCC(CCCCCC)N(CC)C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ SLC16A3 O15427 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ SLC16A1 P53985 1/20 0.52
▸ MEN1 O00255 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ MAOB P27338 4/20 0.49
▸ ATM Q13315 3/20 0.49
▸ USP2 O75604 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 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
SCHEMBL7029313 0.91 MEN1 (0.49) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL7167329 0.85 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL16573482 0.85 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL411971 0.81 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL16573485 0.77 MEN1 (0.48) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL21615668 0.75 KMT2A (0.60) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL3048202 0.75 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL30158125 0.75 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL8707677 0.75 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL21806091 0.72 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10

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-0740528-A4 GAS MICROSPHERES FOR TOPICAL AND SUBCUTANEOUS APPLICATION IMARX PHARMACEUTICAL CORP (US) 1998-04-01 — — EP claimed
EP-0740528-A1 GAS MICROSPHERES FOR TOPICAL AND SUBCUTANEOUS APPLICATION IMARX PHARMACEUTICAL CORP. (US) 1996-11-06 — — EP claimed
WO-1995015118-A1 GAS MICROSPHERES FOR TOPICAL AND SUBCUTANEOUS APPLICATION IMARX PHARMACEUTICAL CORP. (US) 1995-06-08 — — WO claimed
Send feedback