SCHEMBL7655197

SCHEMBL7655197

CC(=O)Nc1ccc(NC(=O)OCc2ccccc2)c2c1SCCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CASP3 P42574 1/20 0.44
▸ BRD4 O60885 3/20 0.43
▸ MAOB P27338 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ F10 P00742 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ MGLL Q99685 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
SCHEMBL7664272 0.76 ALDH1A1 (0.39) RAB9ANPC1CASP3ALDH1A1POLB
SCHEMBL9404941 0.75 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL7657838 0.74 ALDH1A1 (0.38) RAB9ANPC1CASP3SMN1; SMN2ALDH1A1
SCHEMBL9404931 0.74 MAOA (0.33) RAB9ANPC1CASP3ALDH1A1POLB
SCHEMBL9404943 0.71 NPC1 (0.55) RAB9ANPC1CASP3MAOBPTPN1
SCHEMBL9404922 0.71 NPC1 (0.52) RAB9ANPC1CASP3MAOBPTPN1
SCHEMBL9404817 0.71 MAPT (0.43) SMN1; SMN2ALDH1A1POLBMAPTHPGD
SCHEMBL9404756 0.70 KCNH2 (0.39) RAB9ASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL9404891 0.70 TSHR (0.36) —
SCHEMBL9404893 0.70 SMN1; SMN2 (0.38) BRD4SMN1; SMN2POLBKDM4E

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
US-6407115-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS; SIDE EFFECT REDUCTION, WATER SOLUBILITY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-18 — — US disclosed
US-5834476-A DERIVATIVE OF CAMPTOTHECIN, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 — — US disclosed
US-5770605-A Method for treating leukemia with a hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-23 — — US disclosed
US-5658920-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 — — US disclosed
US-5637770-A Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-10 — — US disclosed
EP-0495432-A1 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 — — EP disclosed
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