SCHEMBL6847217

SCHEMBL6847217

Clc1ccc([CH]C2CCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
AKR1C3 P42330 1/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
KIF11 P52732 1/20 0.34
ALOX12 P18054 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL28926373 0.82 MAOB (0.39) KMT2AMAPTTHRBSMN1; SMN2HPGD
SCHEMBL6847297 0.81 ALDH1A1 (0.34) MAPTSMN1; SMN2HPGDALDH1A1HTT
SCHEMBL11572426 0.81 ALDH1A1 (0.42) SMN1; SMN2HPGDALDH1A1KDM4EGAA
SCHEMBL6301892 0.77 HPGD (0.44) MAPTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL27480933 0.77 LOXL2 (0.36) KMT2A
SCHEMBL6742303 0.76 GAA (0.38) KMT2AMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL6308505 0.75 HPGD (0.49) KMT2AMAPTHPGDALDH1A1HTT
SCHEMBL28703886 0.73 KIF11 (0.32) KIF11
SCHEMBL27386419 0.70 CHRNB2 (0.35)
SCHEMBL11097338 0.70 HSD17B10 (0.41) KMT2AALDH1A1KDM4EAKR1C3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US disclosed
US-4159254-A FUNGICIDES, BACTERICIDES MERCK & CO., INC. (US) 1979-06-26 US disclosed