SCHEMBL7420108

SCHEMBL7420108

COC(=O)c1ccc2cc(CC(C)C)n(C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 5/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
SLC7A5 Q01650 1/20 0.39
CYP3A4 P08684 4/20 0.39
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.38
LNPEP Q9UIQ6 2/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL7417793 0.88 APOBEC3A (0.45) APOBEC3AAPOBEC3GHPGDLMNAALDH1A1
SCHEMBL7463560 0.88 APOBEC3A (0.43) APOBEC3AAPOBEC3GHPGDLMNAALDH1A1
SCHEMBL7423925 0.86 APOBEC3A (0.44) APOBEC3AAPOBEC3GHPGDLMNAALDH1A1
SCHEMBL7418955 0.84 APOBEC3A (0.44) APOBEC3AAPOBEC3GHPGDLMNAALDH1A1
SCHEMBL7166718 0.73 LMNA (0.45) HPGDLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7214021 0.73 PARP1 (0.44) APOBEC3AAPOBEC3GHPGDLMNAALDH1A1
SCHEMBL28460969 0.72 KDM1A (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1PARP1
Ammonia Solution, Strong SCHEMBL27457140 0.71 KMT2A (0.57) HPGDLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL15294682 0.70 EHMT2 (0.48) HPGDLMNASMN1; SMN2KDM4ERAB9A
SCHEMBL15687577 0.68 MTNR1A (0.51) APOBEC3AAPOBEC3GALDH1A1MAPTPKM

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-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed