SCHEMBL9840140

SCHEMBL9840140

Cc1ccc(OCC2COC(C)O2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
GLA P06280 1/20 0.41
DRD4 P21917 1/20 0.38
FKBP1A P62942 1/20 0.38
FGFR1 P11362 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
SCHEMBL3138518 0.87 ALDH1A1 (0.65) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL8009353 0.87 ALDH1A1 (0.65) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL8009352 0.87 ALDH1A1 (0.65) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL9840402 0.84 TSHR (0.51) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL9840100 0.83 PKM (0.61) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL9839070 0.82 ALDH1A1 (0.47) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL22242804 0.80 TSHR (0.50) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL9839173 0.80 TSHR (0.50) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL13897185 0.80 TDP1 (0.71) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL9840200 0.79 TSHR (0.49) TSHRALDH1A1TP53HIF1ASMN1; SMN2

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
WO-1991002515-A1 ANTI-INFLAMMATORY SUBSTANCES FOR COSMETIC PREPARATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-03-07 WO disclosed