SCHEMBL8425466

SCHEMBL8425466

O=C(O)C1(Oc2ccc(Cl)cc2)CCOC(CSc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.46
▸ HPGD P15428 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ MMP2 P08253 3/20 0.33
▸ MMP3 P08254 3/20 0.33
▸ MMP9 P14780 3/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ DRD2 P14416 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
SCHEMBL8424068 0.90 DRD4 (0.43) DRD4HPGDALDH1A1LMNAHSD17B10
SCHEMBL8424027 0.89 ALDH1A1 (0.36) DRD4HPGDALDH1A1LMNAHSD17B10
SCHEMBL8423725 0.89 HSD17B10 (0.34) DRD4HPGDALDH1A1LMNAHSD17B10
SCHEMBL8423589 0.88 DRD4 (0.41) DRD4HPGDALDH1A1LMNAMEN1
SCHEMBL8424173 0.78 ALDH1A1 (0.36) DRD4HPGDALDH1A1HSD17B10POLB
SCHEMBL8425305 0.70 MMP1 (0.37) HPGDALDH1A1LMNAHSD17B10MMP2
SCHEMBL8426096 0.70 MMP1 (0.38) ALDH1A1LMNAMMP2MMP3MMP9
SCHEMBL31117784 0.70 MAP4K4 (0.49) HPGDALDH1A1LMNAMAP4K4MMP2
SCHEMBL697540 0.69 MAP4K4 (0.53) HPGDMAP4K4MMP13MEN1KMT2A
SCHEMBL8423700 0.69 HSD11B1 (0.37) HPGDALDH1A1LMNAHSD17B10MMP2

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 — — US disclosed
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