SCHEMBL8344971

SCHEMBL8344971

CC1(c2cc(Br)cc(Br)c2)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL746011 0.82 CYP11B1 (0.45) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL855229 0.79 CHRNA1 (0.48) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL587682 0.77 TAAR1 (0.42) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL7081105 0.77 TSHR (0.37) TSHRLMNAALDH1A1SLC6A2SLC6A4
SCHEMBL1542779 0.76 PKM (0.32)
Magnesium SCHEMBL9306977 0.76 TAAR1 (0.41) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL23951432 0.73 SMN1; SMN2 (0.43) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL10627557 0.72 CYP2A6 (0.41) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL8168961 0.72 ALDH1A1 (0.40) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL8346227 0.71 TSHR (0.34) TSHRSMN1; SMN2LMNAMAPTMAPK1

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
US-RE36477-E 4-(3,5-BIS(TRIMETHYLSILYLPHENYL)CARBOXAMIDO)BENZOIC ACID; DIFFERENTIATION-INDUCING REAGENT OR CELLS; ANTICARCINOGENTIC, -TUMOR,-INFLAMMATORY AND -PROLIFERATIVE AGENTS; PSORIASIS; LEUKEMIA; IMMUNOLOGY TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0337176-B1 Novel benzoic acid derivatives and process for preparing the same SHUDO KOICHI (JP) 1994-12-21 EP disclosed
US-5155249-A Differentiating neoplastic cells, treating psoriasis, immune or inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5081271-A Differentiation-inducing agent for neoplastic cells; therapeutic agent for psoriasis or immune and inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-01-14 US disclosed
EP-0337176-A2 Novel benzoic acid derivatives and process for preparing the same Shudo, Koichi, Prof. Dr. (JP) 1989-10-18 EP disclosed