SCHEMBL11290647

SCHEMBL11290647

Cc1ccc(Oc2ccc(C(CNC(C)(C)C)OS(C)(=O)=O)cc2OC(=O)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
ADRB2 P07550 4/20 0.38
ADRB1 P08588 4/20 0.38
ADRB3 P13945 4/20 0.38
CASP1 P29466 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TBXA2R P21731 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK14 Q16539 1/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
HTR1A P08908 1/20 0.34

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
Alcohol SCHEMBL11558491 0.90 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11277075 0.89 TBXA2R (0.37) MAPTKMT2AALDH1A1LMNAADRB2
SCHEMBL11283323 0.87 TBXA2R (0.36) MAPTHTTADRB3CASP1TBXA2R
SCHEMBL11290658 0.87 PMP22 (0.42) MAPTKMT2AMEN1ALDH1A1LMNA
Alcohol SCHEMBL11559195 0.86 KMT2A (0.39) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11287411 0.85 TBXA2R (0.37) MAPTKMT2AALDH1A1LMNAADRB2
SCHEMBL11282470 0.84 ADRB2 (0.38) MAPTALDH1A1LMNAADRB2ADRB1
SCHEMBL11290651 0.84 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11290104 0.83 TBXA2R (0.38) KMT2AMEN1TBXA2RNPC1RAB9A
Alcohol SCHEMBL11558382 0.83 CCR5 (0.39) MAPTKMT2AMEN1ALDH1A1LMNA

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-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US claimed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US claimed
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed